bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide

C173H267N17O16 — CID 159050893

IUPACbis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCc1ccccc1.CC(C)(C)CC(=O)NCCc1cccnc1.COc1cc(CCNC(=O)CC(C)(C)C)ccn1.COc1ccc(CCNC(=O)CC(C)(C)C)cc1.COc1ccc(CCNC(=O)CC(C)(C)C)cn1.COc1cccc(CCNC(=O)CC(C)(C)C)c1.Cc1cc(CCNC(=O)CC(C)(C)C)ccn1.Cc1ccc(CCNC(=O)CC(C)(C)C)cc1.Cc1ccc(CCNC(=O)CC(C)(C)C)cc1.Cc1ccc(CCNC(=O)CC(C)(C)C)cn1.Cc1cccc(CCNC(=O)CC(C)(C)C)c1.Cc1cccc(CCNC(=O)CC(C)(C)C)c1
InChIInChI=1S/2C15H23NO2.4C15H23NO.2C14H22N2O2.2C14H22N2O.C14H21NO.C13H20N2O/c1-15(2,3)11-14(17)16-10-9-12-5-7-13(18-4)8-6-12;1-15(2,3)11-14(17)16-9-8-12-6-5-7-13(10-12)18-4;2*1-12-5-7-13(8-6-12)9-10-16-14(17)11-15(2,3)4;2*1-12-6-5-7-13(10-12)8-9-16-14(17)11-15(2,3)4;1-14(2,3)10-12(17)15-7-5-11-6-8-16-13(9-11)18-4;1-14(2,3)9-12(17)15-8-7-11-5-6-13(18-4)16-10-11;1-11-9-12(5-7-15-11)6-8-16-13(17)10-14(2,3)4;1-11-5-6-12(10-16-11)7-8-15-13(17)9-14(2,3)4;1-14(2,3)11-13(16)15-10-9-12-7-5-4-6-8-12;1-13(2,3)9-12(16)15-8-6-11-5-4-7-14-10-11/h5-8H,9-11H2,1-4H3,(H,16,17);5-7,10H,8-9,11H2,1-4H3,(H,16,17);2*5-8H,9-11H2,1-4H3,(H,16,17);2*5-7,10H,8-9,11H2,1-4H3,(H,16,17);6,8-9H,5,7,10H2,1-4H3,(H,15,17);5-6,10H,7-9H2,1-4H3,(H,15,17);5,7,9H,6,8,10H2,1-4H3,(H,16,17);5-6,10H,7-9H2,1-4H3,(H,15,17);4-8H,9-11H2,1-3H3,(H,15,16);4-5,7,10H,6,8-9H2,1-3H3,(H,15,16)
InChIKeyJXGDOOGSAKDFIT-UHFFFAOYSA-N
MW2841.14 g/mol
LogP32.24
Rot. Bonds52

About bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide

bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 159050893) has the molecular formula C173H267N17O16 and a molecular weight of 2841.14 g/mol. Its IUPAC name is bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Namebis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide
PubChem CID159050893
Molecular FormulaC173H267N17O16
Molecular Weight2841.14 g/mol
Exact Mass2839.06
IUPAC Namebis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCc1ccccc1.CC(C)(C)CC(=O)NCCc1cccnc1.COc1cc(CCNC(=O)CC(C)(C)C)ccn1.COc1ccc(CCNC(=O)CC(C)(C)C)cc1.COc1ccc(CCNC(=O)CC(C)(C)C)cn1.COc1cccc(CCNC(=O)CC(C)(C)C)c1.Cc1cc(CCNC(=O)CC(C)(C)C)ccn1.Cc1ccc(CCNC(=O)CC(C)(C)C)cc1.Cc1ccc(CCNC(=O)CC(C)(C)C)cc1.Cc1ccc(CCNC(=O)CC(C)(C)C)cn1.Cc1cccc(CCNC(=O)CC(C)(C)C)c1.Cc1cccc(CCNC(=O)CC(C)(C)C)c1
InChIInChI=1S/2C15H23NO2.4C15H23NO.2C14H22N2O2.2C14H22N2O.C14H21NO.C13H20N2O/c1-15(2,3)11-14(17)16-10-9-12-5-7-13(18-4)8-6-12;1-15(2,3)11-14(17)16-9-8-12-6-5-7-13(10-12)18-4;2*1-12-5-7-13(8-6-12)9-10-16-14(17)11-15(2,3)4;2*1-12-6-5-7-13(10-12)8-9-16-14(17)11-15(2,3)4;1-14(2,3)10-12(17)15-7-5-11-6-8-16-13(9-11)18-4;1-14(2,3)9-12(17)15-8-7-11-5-6-13(18-4)16-10-11;1-11-9-12(5-7-15-11)6-8-16-13(17)10-14(2,3)4;1-11-5-6-12(10-16-11)7-8-15-13(17)9-14(2,3)4;1-14(2,3)11-13(16)15-10-9-12-7-5-4-6-8-12;1-13(2,3)9-12(16)15-8-6-11-5-4-7-14-10-11/h5-8H,9-11H2,1-4H3,(H,16,17);5-7,10H,8-9,11H2,1-4H3,(H,16,17);2*5-8H,9-11H2,1-4H3,(H,16,17);2*5-7,10H,8-9,11H2,1-4H3,(H,16,17);6,8-9H,5,7,10H2,1-4H3,(H,15,17);5-6,10H,7-9H2,1-4H3,(H,15,17);5,7,9H,6,8,10H2,1-4H3,(H,16,17);5-6,10H,7-9H2,1-4H3,(H,15,17);4-8H,9-11H2,1-3H3,(H,15,16);4-5,7,10H,6,8-9H2,1-3H3,(H,15,16)
InChIKeyJXGDOOGSAKDFIT-UHFFFAOYSA-N
XLogP32.24
TPSA450.57 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds52
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002841.14
LogP ≤ 532.24
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Analyze bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

1-[4-[[4-[4-[3-[5-[[(1-Acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-fluorophenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone
CID 170696213
1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene
CID 159086241
2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide
CID 159130626
5-[[4-(1,1-difluoroethoxy)phenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[4-(1,1-difluoroethoxy)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-(1,1-difluoroethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[2-[4-(1,1-difluoroethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[3-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[4-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[3-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[[4-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 159646765
N-ethyl-N-(pyridin-4-ylmethyl)formamide;N-[(3-fluorophenyl)methyl]formamide;N-[(3-fluorophenyl)methyl]-N-methylformamide;N-[2-(4-fluorophenyl)propan-2-yl]formamide;N-[(3-methoxyphenyl)methyl]formamide;N-[(4-methoxyphenyl)methyl]formamide;N-[(3-methylphenyl)methyl]formamide;N-[(4-methylphenyl)methyl]formamide;N-methyl-N-(pyridin-2-ylmethyl)formamide;N-methyl-N-(pyridin-4-ylmethyl)formamide;N-(pyridin-3-ylmethyl)formamide;N-[[4-(trifluoromethyl)phenyl]methyl]formamide
CID 160464957
1-[4-[[4-[4-[3-[5-[[(1-Acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone
CID 175513059
1-[4-[[4-[4-[3-[5-[[(1-Acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-3-methyl-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone
CID 170696514
N-[1-[[4-[4-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-methylphenyl]-3-methyl-2-pyridinyl]-2-methoxyphenyl]methyl]piperidin-4-yl]acetamide
CID 170697225
2-[2-Methoxy-4-[2,4,5-tris(3-methoxy-4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine
CID 71243186
(2E)-5,5-bis(4-methoxyphenyl)-N-[(2R)-5-(6-propan-2-yl-3-pyridinyl)pentan-2-yl]penta-2,4-dienamide;(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(5-methyl-3-pyridinyl)pentan-2-yl]-5-pyridin-3-ylpenta-2,4-dienamide
CID 88622760
Bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene)
CID 90990194
N-[4-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]butyl]-2-methylpropanamide
CID 118593044

Frequently Asked Questions

What is the IUPAC name of bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide (CID 159050893) is bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCc1ccccc1.CC(C)(C)CC(=O)NCCc1cccnc1.COc1cc(CCNC(=O)CC(C)(C)C)ccn1.COc1ccc(CCNC(=O)CC(C)(C)C)cc1.COc1ccc(CCNC(=O)CC(C)(C)C)cn1.COc1cccc(CCNC(=O)CC(C)(C)C)c1.Cc1cc(CCNC(=O)CC(C)(C)C)ccn1.Cc1ccc(CCNC(=O)CC(C)(C)C)cc1.Cc1ccc(CCNC(=O)CC(C)(C)C)cc1.Cc1ccc(CCNC(=O)CC(C)(C)C)cn1.Cc1cccc(CCNC(=O)CC(C)(C)C)c1.Cc1cccc(CCNC(=O)CC(C)(C)C)c1.
What is the InChIKey of bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is JXGDOOGSAKDFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H23NO2.4C15H23NO.2C14H22N2O2.2C14H22N2O.C14H21NO.C13H20N2O/c1-15(2,3)11-14(17)16-10-9-12-5-7-13(18-4)8-6-12;1-15(2,3)11-14(17)16-9-8-12-6-5-7-13(10-12)18-4;2*1-12-5-7-13(8-6-12)9-10-16-14(17)11-15(2,3)4;2*1-12-6-5-7-13(10-12)8-9-16-14(17)11-15(2,3)4;1-14(2,3)10-12(17)15-7-5-11-6-8-16-13(9-11)18-4;1-14(2,3)9-12(17)15-8-7-11-5-6-13(18-4)16-10-11;1-11-9-12(5-7-15-11)6-8-16-13(17)10-14(2,3)4;1-11-5-6-12(10-16-11)7-8-15-13(17)9-14(2,3)4;1-14(2,3)11-13(16)15-10-9-12-7-5-4-6-8-12;1-13(2,3)9-12(16)15-8-6-11-5-4-7-14-10-11/h5-8H,9-11H2,1-4H3,(H,16,17);5-7,10H,8-9,11H2,1-4H3,(H,16,17);2*5-8H,9-11H2,1-4H3,(H,16,17);2*5-7,10H,8-9,11H2,1-4H3,(H,16,17);6,8-9H,5,7,10H2,1-4H3,(H,15,17);5-6,10H,7-9H2,1-4H3,(H,15,17);5,7,9H,6,8,10H2,1-4H3,(H,16,17);5-6,10H,7-9H2,1-4H3,(H,15,17);4-8H,9-11H2,1-3H3,(H,15,16);4-5,7,10H,6,8-9H2,1-3H3,(H,15,16).
What are the key properties of bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide?
bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 2841.14 g/mol, XLogP of 32.24, 52 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide);bis(3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide);3,3-dimethyl-N-[2-(2-methyl-4-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]butanamide;3,3-dimethyl-N-(2-phenylethyl)butanamide;3,3-dimethyl-N-(2-pyridin-3-ylethyl)butanamide;N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide;N-[2-(2-methoxy-4-pyridinyl)ethyl]-3,3-dimethylbutanamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 159050893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).