5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one

C153H221ClN14O13 — CID 160862499

IUPAC5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)CC(=O)NC(C)C.CC(C)N1Cc2c(Cl)cccc2C1=O.CC(C)N1Cc2ncccc2C1=O.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)c1ccccc1.CCC#Cc1ccc2c(c1)CN(C(C)C)C2=O.CCCCc1ccc2c(c1)CN(C(C)C)C2=O.Cc1ccc(C(=O)NC(C)C)cc1.Cc1ccc(CCC(=O)NC(C)C)cc1.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1cccc(CCC(=O)NC(C)C)c1
InChIInChI=1S/C15H21NO.C15H17NO.2C13H19NO.C12H15NO.C12H23NO.C12H17NO.C11H12ClNO.C11H15NO.C11H21NO.C10H12N2O.C10H13NO.C8H17NO/c2*1-4-5-6-12-7-8-14-13(9-12)10-16(11(2)3)15(14)17;1-10(2)14-13(15)9-8-12-6-4-11(3)5-7-12;1-10(2)14-13(15)8-7-12-6-4-5-11(3)9-12;1-8(2)13-7-10-5-4-9(3)6-11(10)12(13)14;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-8(2)12-11(13)10-6-4-9(3)5-7-10;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;1-8(2)11-10(12)9-6-4-3-5-7-9;1-6(2)5-8(10)9-7(3)4/h7-9,11H,4-6,10H2,1-3H3;7-9,11H,4,10H2,1-3H3;4-7,10H,8-9H2,1-3H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-6,8H,7H2,1-3H3;10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3;4-8H,1-3H3,(H,12,13);9-10H,3-8H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3;3-8H,1-2H3,(H,11,12);6-7H,5H2,1-4H3,(H,9,10)
InChIKeySKRBTAYELVKQRD-UHFFFAOYSA-N
MW2499.99 g/mol
LogP30.63
Rot. Bonds34

About 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one

5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 160862499) has the molecular formula C153H221ClN14O13 and a molecular weight of 2499.99 g/mol. Its IUPAC name is 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID160862499
Molecular FormulaC153H221ClN14O13
Molecular Weight2499.99 g/mol
Exact Mass2497.68
IUPAC Name5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)CC(=O)NC(C)C.CC(C)N1Cc2c(Cl)cccc2C1=O.CC(C)N1Cc2ncccc2C1=O.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)c1ccccc1.CCC#Cc1ccc2c(c1)CN(C(C)C)C2=O.CCCCc1ccc2c(c1)CN(C(C)C)C2=O.Cc1ccc(C(=O)NC(C)C)cc1.Cc1ccc(CCC(=O)NC(C)C)cc1.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1cccc(CCC(=O)NC(C)C)c1
InChIInChI=1S/C15H21NO.C15H17NO.2C13H19NO.C12H15NO.C12H23NO.C12H17NO.C11H12ClNO.C11H15NO.C11H21NO.C10H12N2O.C10H13NO.C8H17NO/c2*1-4-5-6-12-7-8-14-13(9-12)10-16(11(2)3)15(14)17;1-10(2)14-13(15)9-8-12-6-4-11(3)5-7-12;1-10(2)14-13(15)8-7-12-6-4-5-11(3)9-12;1-8(2)13-7-10-5-4-9(3)6-11(10)12(13)14;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-8(2)12-11(13)10-6-4-9(3)5-7-10;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;1-8(2)11-10(12)9-6-4-3-5-7-9;1-6(2)5-8(10)9-7(3)4/h7-9,11H,4-6,10H2,1-3H3;7-9,11H,4,10H2,1-3H3;4-7,10H,8-9H2,1-3H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-6,8H,7H2,1-3H3;10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3;4-8H,1-3H3,(H,12,13);9-10H,3-8H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3;3-8H,1-2H3,(H,11,12);6-7H,5H2,1-4H3,(H,9,10)
InChIKeySKRBTAYELVKQRD-UHFFFAOYSA-N
XLogP30.63
TPSA347.24 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds34
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002499.99
LogP ≤ 530.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexakis(carbon dioxide);N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-chloro-3-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 157943756
pentakis(carbon dioxide);N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-chloro-3-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 160998935
(2S,5S)-1-[(2S)-2-[(3-acetyl-5-chloroindol-1-yl)methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;(2S,5S)-1-[(2S)-2-[(3-acetyl-5-fluoroindol-1-yl)methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;(2S,5S)-1-[(2S)-2-[[3-acetyl-5-(trifluoromethyl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;(2S,5S)-2-cyclohexyl-1-[(2S)-2-[[5-fluoro-3-(2-methylphenyl)indol-1-yl]methyl]pyrrolidin-1-yl]-5-(methylamino)hexane-1,4-dione
CID 164995360
1-[2-[(3-Acetyl-5-chloroindol-1-yl)methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;1-[2-[(3-acetyl-5-fluoroindol-1-yl)methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;1-[2-[[3-acetyl-5-(trifluoromethyl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;2-cyclohexyl-1-[2-[[5-fluoro-3-(2-methylphenyl)indol-1-yl]methyl]pyrrolidin-1-yl]-5-(methylamino)hexane-1,4-dione
CID 164995361
6-chloro-2-propan-2-yl-3H-isoindol-1-one;2,4-di(propan-2-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;N-methyl-3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindole-5-carboxamide;2-propan-2-yl-3H-isoindol-1-one
CID 167593348
H-D-Lys(nicotinoyl)(nicotinoyl)-Pro-2Pal-Pro-D-Phe(2,6-diCl)-Asn-D-Trp-Phe-D-Trp-Leu-Nle-NH2
CID 24868249
5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157576893
(2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylethanone);bis(3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-propyl-1H-indole-7-carboxamide);bis(3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-propyl-1H-indole-7-carboxamide)
CID 157594822
hexakis(carbon dioxide);N-[(1S)-1-(5-chloro-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(R)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1R)-3-methyl-1-(3-propan-2-ylphenyl)butyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indole-5-carboxamide;N-[(1R)-2,2-dimethyl-1-(3-propan-2-ylphenyl)propyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-2,2-dimethyl-1-(3-propan-2-ylphenyl)propyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 157822364
N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide
CID 158033019
5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 158073294
(3R,3aS,4S,5R,7aR)-5-[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-2-chlorophenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(4-chlorophenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide;4-[(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-3,7a-dimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-isoindol-5-yl]-3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 158193088

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 160862499) is 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one is CC(C)CC(=O)NC(C)C.CC(C)N1Cc2c(Cl)cccc2C1=O.CC(C)N1Cc2ncccc2C1=O.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)c1ccccc1.CCC#Cc1ccc2c(c1)CN(C(C)C)C2=O.CCCCc1ccc2c(c1)CN(C(C)C)C2=O.Cc1ccc(C(=O)NC(C)C)cc1.Cc1ccc(CCC(=O)NC(C)C)cc1.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1cccc(CCC(=O)NC(C)C)c1.
What is the InChIKey of 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is SKRBTAYELVKQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C15H17NO.2C13H19NO.C12H15NO.C12H23NO.C12H17NO.C11H12ClNO.C11H15NO.C11H21NO.C10H12N2O.C10H13NO.C8H17NO/c2*1-4-5-6-12-7-8-14-13(9-12)10-16(11(2)3)15(14)17;1-10(2)14-13(15)9-8-12-6-4-11(3)5-7-12;1-10(2)14-13(15)8-7-12-6-4-5-11(3)9-12;1-8(2)13-7-10-5-4-9(3)6-11(10)12(13)14;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-8(2)12-11(13)10-6-4-9(3)5-7-10;1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;1-8(2)11-10(12)9-6-4-3-5-7-9;1-6(2)5-8(10)9-7(3)4/h7-9,11H,4-6,10H2,1-3H3;7-9,11H,4,10H2,1-3H3;4-7,10H,8-9H2,1-3H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-6,8H,7H2,1-3H3;10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3;4-8H,1-3H3,(H,12,13);9-10H,3-8H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3;3-8H,1-2H3,(H,11,12);6-7H,5H2,1-4H3,(H,9,10).
What are the key properties of 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 2499.99 g/mol, XLogP of 30.63, 34 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 160862499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).