1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide

C211H324ClF9N16O10 — CID 162169441

IUPAC1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide
SMILESC=C(CC(C)C)N1CCNC(=O)C1.CC(C)CC(=O)NC(C)C.CC(C)CC(=O)NC1CCCC1.CC(C)CC(=O)NC1CCCCC1.CC(C)CC(=O)Nc1ccc(F)cc1.CC(C)CC(=O)c1ccc(F)cc1.CC(C)CC(=O)c1ccccc1.CC(C)CC1(c2ccc(F)cc2)CC1.CC(C)CCCc1ccc(C(F)(F)F)nc1.CC(C)CCCc1ccc(Cl)cc1.CC(C)CCc1cnc(C(F)(F)F)nc1.CCN(C)C(=O)CC(C)C.Cc1ccc(C(C)(C)CC(C)C)cn1.Cc1ccc(CC(C)C(C)C)cn1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCCC(C)C)cc1.Cc1ncc(CCC(C)C)cn1
InChIInChI=1S/C13H17F.C13H21N.C13H20.C12H17Cl.C12H16F3N.2C12H17NO.C12H19N.C12H18.C11H14FNO.C11H13FO.C11H21NO.C11H14O.C10H13F3N2.C10H18N2O.C10H16N2.C10H19NO.2C8H17NO/c1-10(2)9-13(7-8-13)11-3-5-12(14)6-4-11;1-10(2)8-13(4,5)12-7-6-11(3)14-9-12;1-11(2)5-4-6-13-9-7-12(3)8-10-13;1-10(2)4-3-5-11-6-8-12(13)9-7-11;1-9(2)4-3-5-10-6-7-11(16-8-10)12(13,14)15;2*1-9(2)12(14)7-6-11-5-4-10(3)13-8-11;1-9(2)10(3)7-12-6-5-11(4)13-8-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-8(2)7-11(14)13-10-5-3-9(12)4-6-10;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)8-11(13)12-10-6-4-3-5-7-10;1-9(2)8-11(12)10-6-4-3-5-7-10;1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13;1-8(2)6-9(3)12-5-4-11-10(13)7-12;1-8(2)4-5-10-6-11-9(3)12-7-10;1-8(2)7-10(12)11-9-5-3-4-6-9;1-6(2)5-8(10)9-7(3)4;1-5-9(4)8(10)6-7(2)3/h3-6,10H,7-9H2,1-2H3;6-7,9-10H,8H2,1-5H3;7-11H,4-6H2,1-3H3;6-10H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;2*4-5,8-9H,6-7H2,1-3H3;5-6,8-10H,7H2,1-4H3;5-6,8-10H,4,7H2,1-3H3;3-6,8H,7H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3;5-7H,3-4H2,1-2H3;8H,3-7H2,1-2H3,(H,11,13);6-8H,4-5H2,1-3H3;8-9H,3-7H2,1-2H3,(H,11,12);6-7H,5H2,1-4H3,(H,9,10);7H,5-6H2,1-4H3
InChIKeyZNOVVXBYFAMCAG-UHFFFAOYSA-N
MW3451.45 g/mol
LogP54.75
Rot. Bonds62

About 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide

1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide (PubChem CID 162169441) has the molecular formula C211H324ClF9N16O10 and a molecular weight of 3451.45 g/mol. Its IUPAC name is 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide
PubChem CID162169441
Molecular FormulaC211H324ClF9N16O10
Molecular Weight3451.45 g/mol
Exact Mass3448.49
IUPAC Name1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide
SMILESC=C(CC(C)C)N1CCNC(=O)C1.CC(C)CC(=O)NC(C)C.CC(C)CC(=O)NC1CCCC1.CC(C)CC(=O)NC1CCCCC1.CC(C)CC(=O)Nc1ccc(F)cc1.CC(C)CC(=O)c1ccc(F)cc1.CC(C)CC(=O)c1ccccc1.CC(C)CC1(c2ccc(F)cc2)CC1.CC(C)CCCc1ccc(C(F)(F)F)nc1.CC(C)CCCc1ccc(Cl)cc1.CC(C)CCc1cnc(C(F)(F)F)nc1.CCN(C)C(=O)CC(C)C.Cc1ccc(C(C)(C)CC(C)C)cn1.Cc1ccc(CC(C)C(C)C)cn1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCCC(C)C)cc1.Cc1ncc(CCC(C)C)cn1
InChIInChI=1S/C13H17F.C13H21N.C13H20.C12H17Cl.C12H16F3N.2C12H17NO.C12H19N.C12H18.C11H14FNO.C11H13FO.C11H21NO.C11H14O.C10H13F3N2.C10H18N2O.C10H16N2.C10H19NO.2C8H17NO/c1-10(2)9-13(7-8-13)11-3-5-12(14)6-4-11;1-10(2)8-13(4,5)12-7-6-11(3)14-9-12;1-11(2)5-4-6-13-9-7-12(3)8-10-13;1-10(2)4-3-5-11-6-8-12(13)9-7-11;1-9(2)4-3-5-10-6-7-11(16-8-10)12(13,14)15;2*1-9(2)12(14)7-6-11-5-4-10(3)13-8-11;1-9(2)10(3)7-12-6-5-11(4)13-8-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-8(2)7-11(14)13-10-5-3-9(12)4-6-10;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)8-11(13)12-10-6-4-3-5-7-10;1-9(2)8-11(12)10-6-4-3-5-7-10;1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13;1-8(2)6-9(3)12-5-4-11-10(13)7-12;1-8(2)4-5-10-6-11-9(3)12-7-10;1-8(2)7-10(12)11-9-5-3-4-6-9;1-6(2)5-8(10)9-7(3)4;1-5-9(4)8(10)6-7(2)3/h3-6,10H,7-9H2,1-2H3;6-7,9-10H,8H2,1-5H3;7-11H,4-6H2,1-3H3;6-10H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;2*4-5,8-9H,6-7H2,1-3H3;5-6,8-10H,7H2,1-4H3;5-6,8-10H,4,7H2,1-3H3;3-6,8H,7H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3;5-7H,3-4H2,1-2H3;8H,3-7H2,1-2H3,(H,11,13);6-8H,4-5H2,1-3H3;8-9H,3-7H2,1-2H3,(H,11,12);6-7H,5H2,1-4H3,(H,9,10);7H,5-6H2,1-4H3
InChIKeyZNOVVXBYFAMCAG-UHFFFAOYSA-N
XLogP54.75
TPSA353.34 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds62
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003451.45
LogP ≤ 554.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide with MolForge

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Related Compounds

1-(4-acetylpiperazin-1-yl)-4-methylpentan-1-one;1-chloro-4-(3-methylbutyl)benzene;1-(3,5-dimethylpiperazin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentan-1-one;1-fluoro-4-(3-methylbutyl)benzene;3-methylbutylbenzene;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)piperidin-2-one;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;5-(3-methylbutyl)-2-(trifluoromethyl)pyridine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-5-(3-methylbutyl)pyridine;4-(4-methylpentanoyl)piperazin-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-methyl-1-pyrrolidin-1-ylpentan-1-one;N,N,4-trimethylpentanamide
CID 161323590
2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133252544
2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133248926
(2S)-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100514968
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100603855
N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide
CID 50842318
(2S)-2-(4-chloro-N-[2-[(R)-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl]acetyl]anilino)-N-cyclopentylpropanamide
CID 25453031
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100588604
N-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-cyclopentylacetamide;1-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide;N-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-cyclopentylacetamide;1-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;1-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(3-methylphenyl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-[3-(1,1-difluoroethyl)phenyl]-1-(3-methyl-2-pyridinyl)-2-phenylethyl]-3-(4-fluorophenyl)urea;N-[1-(3,5-dimethyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane;1-(3-methylphenyl)-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-phenyl-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]ethyl]urea
CID 157399687
(2R)-2-[(4-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100605866
2-[[2-(4-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133176570
(2S)-N-cyclohexyl-2-(N-[2-[(R)-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl]acetyl]anilino)propanamide
CID 51512299

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide (CID 162169441) is 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide is C=C(CC(C)C)N1CCNC(=O)C1.CC(C)CC(=O)NC(C)C.CC(C)CC(=O)NC1CCCC1.CC(C)CC(=O)NC1CCCCC1.CC(C)CC(=O)Nc1ccc(F)cc1.CC(C)CC(=O)c1ccc(F)cc1.CC(C)CC(=O)c1ccccc1.CC(C)CC1(c2ccc(F)cc2)CC1.CC(C)CCCc1ccc(C(F)(F)F)nc1.CC(C)CCCc1ccc(Cl)cc1.CC(C)CCc1cnc(C(F)(F)F)nc1.CCN(C)C(=O)CC(C)C.Cc1ccc(C(C)(C)CC(C)C)cn1.Cc1ccc(CC(C)C(C)C)cn1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCCC(C)C)cc1.Cc1ncc(CCC(C)C)cn1.
What is the InChIKey of 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide?
The InChIKey is ZNOVVXBYFAMCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F.C13H21N.C13H20.C12H17Cl.C12H16F3N.2C12H17NO.C12H19N.C12H18.C11H14FNO.C11H13FO.C11H21NO.C11H14O.C10H13F3N2.C10H18N2O.C10H16N2.C10H19NO.2C8H17NO/c1-10(2)9-13(7-8-13)11-3-5-12(14)6-4-11;1-10(2)8-13(4,5)12-7-6-11(3)14-9-12;1-11(2)5-4-6-13-9-7-12(3)8-10-13;1-10(2)4-3-5-11-6-8-12(13)9-7-11;1-9(2)4-3-5-10-6-7-11(16-8-10)12(13,14)15;2*1-9(2)12(14)7-6-11-5-4-10(3)13-8-11;1-9(2)10(3)7-12-6-5-11(4)13-8-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-8(2)7-11(14)13-10-5-3-9(12)4-6-10;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)8-11(13)12-10-6-4-3-5-7-10;1-9(2)8-11(12)10-6-4-3-5-7-10;1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13;1-8(2)6-9(3)12-5-4-11-10(13)7-12;1-8(2)4-5-10-6-11-9(3)12-7-10;1-8(2)7-10(12)11-9-5-3-4-6-9;1-6(2)5-8(10)9-7(3)4;1-5-9(4)8(10)6-7(2)3/h3-6,10H,7-9H2,1-2H3;6-7,9-10H,8H2,1-5H3;7-11H,4-6H2,1-3H3;6-10H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;2*4-5,8-9H,6-7H2,1-3H3;5-6,8-10H,7H2,1-4H3;5-6,8-10H,4,7H2,1-3H3;3-6,8H,7H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3;5-7H,3-4H2,1-2H3;8H,3-7H2,1-2H3,(H,11,13);6-8H,4-5H2,1-3H3;8-9H,3-7H2,1-2H3,(H,11,12);6-7H,5H2,1-4H3,(H,9,10);7H,5-6H2,1-4H3.
What are the key properties of 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide?
1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide has a molecular weight of 3451.45 g/mol, XLogP of 54.75, 62 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;1-methyl-4-(4-methylpentyl)benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 162169441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).