(3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

C31H41N3O — CID 93299629

IUPAC(3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCCC3)C3CCCCC3)c3ccccc32)cc1
InChIInChI=1S/C31H41N3O/c1-24-13-15-25(16-14-24)22-34-23-29(27-11-5-6-12-30(27)34)28(26-9-3-2-4-10-26)21-31(35)32-17-20-33-18-7-8-19-33/h5-6,11-16,23,26,28H,2-4,7-10,17-22H2,1H3,(H,32,35)/t28-/m1/s1
InChIKeyXZTWAWXTBUVRDO-MUUNZHRXSA-N
MW471.69 g/mol
LogP6.26
Rot. Bonds9

About (3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

(3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 93299629) has the molecular formula C31H41N3O and a molecular weight of 471.69 g/mol. Its IUPAC name is (3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name(3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID93299629
Molecular FormulaC31H41N3O
Molecular Weight471.69 g/mol
Exact Mass471.32
IUPAC Name(3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCCC3)C3CCCCC3)c3ccccc32)cc1
InChIInChI=1S/C31H41N3O/c1-24-13-15-25(16-14-24)22-34-23-29(27-11-5-6-12-30(27)34)28(26-9-3-2-4-10-26)21-31(35)32-17-20-33-18-7-8-19-33/h5-6,11-16,23,26,28H,2-4,7-10,17-22H2,1H3,(H,32,35)/t28-/m1/s1
InChIKeyXZTWAWXTBUVRDO-MUUNZHRXSA-N
XLogP6.26
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.69
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide with MolForge

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Related Compounds

3-cyclohexyl-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 83285670
(3R)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-(4-phenylmethoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 98443759
3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83277982
(3R)-3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-piperidin-1-ylethyl)propanamide
CID 98437111
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 4048962
(3S)-3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 98443792
3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42774245
3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 83285067
(3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92912022
(3S)-3-(1-benzylindol-3-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 98444635
1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide
CID 177344342
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of (3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 93299629) is (3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for (3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for (3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is Cc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCCC3)C3CCCCC3)c3ccccc32)cc1.
What is the InChIKey of (3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is XZTWAWXTBUVRDO-MUUNZHRXSA-N. The full InChI is InChI=1S/C31H41N3O/c1-24-13-15-25(16-14-24)22-34-23-29(27-11-5-6-12-30(27)34)28(26-9-3-2-4-10-26)21-31(35)32-17-20-33-18-7-8-19-33/h5-6,11-16,23,26,28H,2-4,7-10,17-22H2,1H3,(H,32,35)/t28-/m1/s1.
What are the key properties of (3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
(3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 471.69 g/mol, XLogP of 6.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 93299629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).