1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide

C24H28N2O — CID 167312296

IUPAC1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide
SMILESCC(C)(NC(=O)c1cn(CC2CCCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C24H28N2O/c1-24(2,19-12-4-3-5-13-19)25-23(27)21-17-26(16-18-10-6-7-11-18)22-15-9-8-14-20(21)22/h3-5,8-9,12-15,17-18H,6-7,10-11,16H2,1-2H3,(H,25,27)
InChIKeyXTVQVQOZQDREFO-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.50
Rot. Bonds5

About 1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide

1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide (PubChem CID 167312296) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide
PubChem CID167312296
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide
SMILESCC(C)(NC(=O)c1cn(CC2CCCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C24H28N2O/c1-24(2,19-12-4-3-5-13-19)25-23(27)21-17-26(16-18-10-6-7-11-18)22-15-9-8-14-20(21)22/h3-5,8-9,12-15,17-18H,6-7,10-11,16H2,1-2H3,(H,25,27)
InChIKeyXTVQVQOZQDREFO-UHFFFAOYSA-N
XLogP5.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide
CID 132988665
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
CID 167312295
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
CID 54164902
2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol
CID 117118920
6-bromo-1-[1-(cyclohexylmethyl)indol-3-yl]hexan-1-one
CID 54439030
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carbothioamide
CID 86274399
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 170857355
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
CID 67255296
N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
CID 955482

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
The IUPAC name of 1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide (CID 167312296) is 1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide.
What is the SMILES notation for 1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
The canonical SMILES for 1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide is CC(C)(NC(=O)c1cn(CC2CCCC2)c2ccccc12)c1ccccc1.
What is the InChIKey of 1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
The InChIKey is XTVQVQOZQDREFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-24(2,19-12-4-3-5-13-19)25-23(27)21-17-26(16-18-10-6-7-11-18)22-15-9-8-14-20(21)22/h3-5,8-9,12-15,17-18H,6-7,10-11,16H2,1-2H3,(H,25,27).
What are the key properties of 1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide is sourced from PubChem (CID 167312296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).