3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride

C32H38ClN3O — CID 67595051

IUPAC3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride
SMILESCN(C)CCn1c(C(=O)NC2CCCCC2)c(C(c2ccccc2)c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C32H37N3O.ClH/c1-34(2)22-23-35-28-21-13-12-20-27(28)30(31(35)32(36)33-26-18-10-5-11-19-26)29(24-14-6-3-7-15-24)25-16-8-4-9-17-25;/h3-4,6-9,12-17,20-21,26,29H,5,10-11,18-19,22-23H2,1-2H3,(H,33,36);1H
InChIKeyHHQVMFIXBLCIMT-UHFFFAOYSA-N
MW516.13 g/mol
LogP6.87
Rot. Bonds8

About 3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride

3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride (PubChem CID 67595051) has the molecular formula C32H38ClN3O and a molecular weight of 516.13 g/mol. Its IUPAC name is 3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride
PubChem CID67595051
Molecular FormulaC32H38ClN3O
Molecular Weight516.13 g/mol
Exact Mass515.27
IUPAC Name3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride
SMILESCN(C)CCn1c(C(=O)NC2CCCCC2)c(C(c2ccccc2)c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C32H37N3O.ClH/c1-34(2)22-23-35-28-21-13-12-20-27(28)30(31(35)32(36)33-26-18-10-5-11-19-26)29(24-14-6-3-7-15-24)25-16-8-4-9-17-25;/h3-4,6-9,12-17,20-21,26,29H,5,10-11,18-19,22-23H2,1-2H3,(H,33,36);1H
InChIKeyHHQVMFIXBLCIMT-UHFFFAOYSA-N
XLogP6.87
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.13
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
CID 54041218
N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
CID 67596039
3-[bis(4-methylphenyl)methyl]-1-[2-(dimethylamino)ethyl]-N-propan-2-ylindole-2-carboxamide;hydrochloride
CID 67595545
3-[bis[4-(methoxymethoxy)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-N-(2-pyridin-4-ylethyl)indole-2-carboxamide
CID 67595046
N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379
3-[[4-(2-chloroethoxy)phenyl]-phenylmethyl]-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid
CID 67595583
3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 126476902
N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide
CID 132543975
N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide
CID 91835840
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694501
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride?
The IUPAC name of 3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride (CID 67595051) is 3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride?
The canonical SMILES for 3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride is CN(C)CCn1c(C(=O)NC2CCCCC2)c(C(c2ccccc2)c2ccccc2)c2ccccc21.Cl.
What is the InChIKey of 3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride?
The InChIKey is HHQVMFIXBLCIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O.ClH/c1-34(2)22-23-35-28-21-13-12-20-27(28)30(31(35)32(36)33-26-18-10-5-11-19-26)29(24-14-6-3-7-15-24)25-16-8-4-9-17-25;/h3-4,6-9,12-17,20-21,26,29H,5,10-11,18-19,22-23H2,1-2H3,(H,33,36);1H.
What are the key properties of 3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride?
3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride has a molecular weight of 516.13 g/mol, XLogP of 6.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 67595051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).