N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide

C31H29NO2 — CID 22566943

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide
SMILESCOc1ccc(CN(C(=O)c2c(C)cccc2-c2ccccc2)C2Cc3ccccc3C2)cc1
InChIInChI=1S/C31H29NO2/c1-22-9-8-14-29(24-10-4-3-5-11-24)30(22)31(33)32(21-23-15-17-28(34-2)18-16-23)27-19-25-12-6-7-13-26(25)20-27/h3-18,27H,19-21H2,1-2H3
InChIKeyWXHBYFVSDQNABC-UHFFFAOYSA-N
MW447.58 g/mol
LogP6.48
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide

N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide (PubChem CID 22566943) has the molecular formula C31H29NO2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide
PubChem CID22566943
Molecular FormulaC31H29NO2
Molecular Weight447.58 g/mol
Exact Mass447.22
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide
SMILESCOc1ccc(CN(C(=O)c2c(C)cccc2-c2ccccc2)C2Cc3ccccc3C2)cc1
InChIInChI=1S/C31H29NO2/c1-22-9-8-14-29(24-10-4-3-5-11-24)30(22)31(33)32(21-23-15-17-28(34-2)18-16-23)27-19-25-12-6-7-13-26(25)20-27/h3-18,27H,19-21H2,1-2H3
InChIKeyWXHBYFVSDQNABC-UHFFFAOYSA-N
XLogP6.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide (CID 22566943) is N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide is COc1ccc(CN(C(=O)c2c(C)cccc2-c2ccccc2)C2Cc3ccccc3C2)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide?
The InChIKey is WXHBYFVSDQNABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO2/c1-22-9-8-14-29(24-10-4-3-5-11-24)30(22)31(33)32(21-23-15-17-28(34-2)18-16-23)27-19-25-12-6-7-13-26(25)20-27/h3-18,27H,19-21H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide has a molecular weight of 447.58 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide is sourced from PubChem (CID 22566943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).