N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide

C29H32N2O2 — CID 46056563

IUPACN-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
SMILESCN(Cc1ccccc1)C(=O)Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1
InChIInChI=1S/C29H32N2O2/c1-30(21-23-11-4-2-5-12-23)28(32)20-25-15-10-18-27(19-25)31(22-24-13-6-3-7-14-24)29(33)26-16-8-9-17-26/h2-7,10-15,18-19,26H,8-9,16-17,20-22H2,1H3
InChIKeyOJITYWGIIPERBJ-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.61
Rot. Bonds8

About N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide

N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide (PubChem CID 46056563) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
PubChem CID46056563
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
SMILESCN(Cc1ccccc1)C(=O)Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1
InChIInChI=1S/C29H32N2O2/c1-30(21-23-11-4-2-5-12-23)28(32)20-25-15-10-18-27(19-25)31(22-24-13-6-3-7-14-24)29(33)26-16-8-9-17-26/h2-7,10-15,18-19,26H,8-9,16-17,20-22H2,1H3
InChIKeyOJITYWGIIPERBJ-UHFFFAOYSA-N
XLogP5.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 46057032
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide
CID 46052623
N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 42859503
N-benzyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]cyclopentanecarboxamide
CID 42859326
N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056561
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide
CID 46056527
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057025
N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 42859607
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 46056985
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057030
N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 83289075
N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
CID 42859274

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide (CID 46056563) is N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide is CN(Cc1ccccc1)C(=O)Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1.
What is the InChIKey of N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The InChIKey is OJITYWGIIPERBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-30(21-23-11-4-2-5-12-23)28(32)20-25-15-10-18-27(19-25)31(22-24-13-6-3-7-14-24)29(33)26-16-8-9-17-26/h2-7,10-15,18-19,26H,8-9,16-17,20-22H2,1H3.
What are the key properties of N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide?
N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide has a molecular weight of 440.59 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 46056563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).