N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide

C32H42N2O2 — CID 142579601

IUPACN-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide
SMILESCOc1ccc2c(c1)c(C(CC(=O)NC1CCCCC1)c1cccc(C)c1)cn2CC1CCCCC1
InChIInChI=1S/C32H42N2O2/c1-23-10-9-13-25(18-23)28(20-32(35)33-26-14-7-4-8-15-26)30-22-34(21-24-11-5-3-6-12-24)31-17-16-27(36-2)19-29(30)31/h9-10,13,16-19,22,24,26,28H,3-8,11-12,14-15,20-21H2,1-2H3,(H,33,35)
InChIKeyDQLRJZCNZNYKLE-UHFFFAOYSA-N
MW486.70 g/mol
LogP7.51
Rot. Bonds8

About N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide

N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide (PubChem CID 142579601) has the molecular formula C32H42N2O2 and a molecular weight of 486.70 g/mol. Its IUPAC name is N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide
PubChem CID142579601
Molecular FormulaC32H42N2O2
Molecular Weight486.70 g/mol
Exact Mass486.32
IUPAC NameN-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide
SMILESCOc1ccc2c(c1)c(C(CC(=O)NC1CCCCC1)c1cccc(C)c1)cn2CC1CCCCC1
InChIInChI=1S/C32H42N2O2/c1-23-10-9-13-25(18-23)28(20-32(35)33-26-14-7-4-8-15-26)30-22-34(21-24-11-5-3-6-12-24)31-17-16-27(36-2)19-29(30)31/h9-10,13,16-19,22,24,26,28H,3-8,11-12,14-15,20-21H2,1-2H3,(H,33,35)
InChIKeyDQLRJZCNZNYKLE-UHFFFAOYSA-N
XLogP7.51
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.70
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579632
1-(4-aminocyclohexyl)-4-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-4-(3-methylphenyl)butan-2-one;hydrochloride
CID 161334455
3-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 157211612
3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579389
N-(4-aminocyclohexyl)-3-[5-cyano-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 162459873
3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide
CID 142579603
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)-5-pyridin-4-ylindol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 166691495
4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 166691488
N-(4-aminocyclohexyl)-3-[5-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanamide
CID 142579439
N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42801294
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 166691579
N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
CID 142579624

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide (CID 142579601) is N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide is COc1ccc2c(c1)c(C(CC(=O)NC1CCCCC1)c1cccc(C)c1)cn2CC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide?
The InChIKey is DQLRJZCNZNYKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O2/c1-23-10-9-13-25(18-23)28(20-32(35)33-26-14-7-4-8-15-26)30-22-34(21-24-11-5-3-6-12-24)31-17-16-27(36-2)19-29(30)31/h9-10,13,16-19,22,24,26,28H,3-8,11-12,14-15,20-21H2,1-2H3,(H,33,35).
What are the key properties of N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide?
N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide has a molecular weight of 486.70 g/mol, XLogP of 7.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 142579601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).