N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C29H30N2O2 — CID 55991774

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccc(CN3CCCC3=O)cc2)C2CCc3ccccc32)cc1
InChIInChI=1S/C29H30N2O2/c1-21-8-10-23(11-9-21)20-31(27-17-16-24-5-2-3-6-26(24)27)29(33)25-14-12-22(13-15-25)19-30-18-4-7-28(30)32/h2-3,5-6,8-15,27H,4,7,16-20H2,1H3
InChIKeyQXXOOCMCPRLSEV-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.45
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55991774) has the molecular formula C29H30N2O2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID55991774
Molecular FormulaC29H30N2O2
Molecular Weight438.57 g/mol
Exact Mass438.23
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccc(CN3CCCC3=O)cc2)C2CCc3ccccc32)cc1
InChIInChI=1S/C29H30N2O2/c1-21-8-10-23(11-9-21)20-31(27-17-16-24-5-2-3-6-26(24)27)29(33)25-14-12-22(13-15-25)19-30-18-4-7-28(30)32/h2-3,5-6,8-15,27H,4,7,16-20H2,1H3
InChIKeyQXXOOCMCPRLSEV-UHFFFAOYSA-N
XLogP5.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.45
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-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 55991774) is N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1ccc(CN(C(=O)c2ccc(CN3CCCC3=O)cc2)C2CCc3ccccc32)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is QXXOOCMCPRLSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O2/c1-21-8-10-23(11-9-21)20-31(27-17-16-24-5-2-3-6-26(24)27)29(33)25-14-12-22(13-15-25)19-30-18-4-7-28(30)32/h2-3,5-6,8-15,27H,4,7,16-20H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 438.57 g/mol, XLogP of 5.45, 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-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55991774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).