N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide

C31H29NO — CID 22567021

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide
SMILESCc1cccc(CN(C(=O)c2c(C)cccc2-c2ccccc2)C2Cc3ccccc3C2)c1
InChIInChI=1S/C31H29NO/c1-22-10-8-12-24(18-22)21-32(28-19-26-15-6-7-16-27(26)20-28)31(33)30-23(2)11-9-17-29(30)25-13-4-3-5-14-25/h3-18,28H,19-21H2,1-2H3
InChIKeyXLESKBUGHZBUIN-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.78
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide

N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide (PubChem CID 22567021) has the molecular formula C31H29NO and a molecular weight of 431.58 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide
PubChem CID22567021
Molecular FormulaC31H29NO
Molecular Weight431.58 g/mol
Exact Mass431.22
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide
SMILESCc1cccc(CN(C(=O)c2c(C)cccc2-c2ccccc2)C2Cc3ccccc3C2)c1
InChIInChI=1S/C31H29NO/c1-22-10-8-12-24(18-22)21-32(28-19-26-15-6-7-16-27(26)20-28)31(33)30-23(2)11-9-17-29(30)25-13-4-3-5-14-25/h3-18,28H,19-21H2,1-2H3
InChIKeyXLESKBUGHZBUIN-UHFFFAOYSA-N
XLogP6.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide
CID 22566943
N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide
CID 91173289
N-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]benzamide
CID 10127237
3-[methyl-[(3-methylphenyl)methyl]amino]cyclobutane-1-carboxylic acid
CID 117042985
(E)-4-[cyclopropyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 39360084
N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-phenylbenzamide
CID 69326258
5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 79987448
N-cyclopropyl-N-[(3-methylphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 86926399
N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylnaphthalene-1-carboxamide
CID 22567004
1-(aminomethyl)-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 115452811
(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone
CID 70014310
4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 86891469

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide (CID 22567021) is N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide is Cc1cccc(CN(C(=O)c2c(C)cccc2-c2ccccc2)C2Cc3ccccc3C2)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide?
The InChIKey is XLESKBUGHZBUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO/c1-22-10-8-12-24(18-22)21-32(28-19-26-15-6-7-16-27(26)20-28)31(33)30-23(2)11-9-17-29(30)25-13-4-3-5-14-25/h3-18,28H,19-21H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide has a molecular weight of 431.58 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide is sourced from PubChem (CID 22567021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).