N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide

C27H34N2O — CID 20900035

IUPACN-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
SMILESCc1ccccc1Cn1cc(CCC(=O)NC2CCCC(C)C2C)c2ccccc21
InChIInChI=1S/C27H34N2O/c1-19-10-8-13-25(21(19)3)28-27(30)16-15-23-18-29(26-14-7-6-12-24(23)26)17-22-11-5-4-9-20(22)2/h4-7,9,11-12,14,18-19,21,25H,8,10,13,15-17H2,1-3H3,(H,28,30)
InChIKeyUXZPYJDQGICPRZ-UHFFFAOYSA-N
MW402.58 g/mol
LogP5.87
Rot. Bonds6

About N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide

N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide (PubChem CID 20900035) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
PubChem CID20900035
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
SMILESCc1ccccc1Cn1cc(CCC(=O)NC2CCCC(C)C2C)c2ccccc21
InChIInChI=1S/C27H34N2O/c1-19-10-8-13-25(21(19)3)28-27(30)16-15-23-18-29(26-14-7-6-12-24(23)26)17-22-11-5-4-9-20(22)2/h4-7,9,11-12,14,18-19,21,25H,8,10,13,15-17H2,1-3H3,(H,28,30)
InChIKeyUXZPYJDQGICPRZ-UHFFFAOYSA-N
XLogP5.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900033
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 20900031
N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
CID 20900075
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 164781372
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 20900008
4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 22522978
3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
CID 4616426
3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 51723970
5-[1-[(2-methylphenyl)methyl]indol-3-yl]pentan-2-one;1,2,3-trimethylbenzene
CID 154688157
2-[3-(2-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812084
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide (CID 20900035) is N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide is Cc1ccccc1Cn1cc(CCC(=O)NC2CCCC(C)C2C)c2ccccc21.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
The InChIKey is UXZPYJDQGICPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O/c1-19-10-8-13-25(21(19)3)28-27(30)16-15-23-18-29(26-14-7-6-12-24(23)26)17-22-11-5-4-9-20(22)2/h4-7,9,11-12,14,18-19,21,25H,8,10,13,15-17H2,1-3H3,(H,28,30).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide has a molecular weight of 402.58 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 20900035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).