N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide

C25H30N2O3 — CID 4729182

IUPACN-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide
SMILESCc1ccc(NC(=O)CC2(CC(=O)N(C)C)CCCC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C25H30N2O3/c1-18-11-12-21(20(15-18)24(30)19-9-5-4-6-10-19)26-22(28)16-25(13-7-8-14-25)17-23(29)27(2)3/h4-6,9-12,15H,7-8,13-14,16-17H2,1-3H3,(H,26,28)
InChIKeyPABVEIZQAZMBQH-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.59
Rot. Bonds7

About N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide

N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide (PubChem CID 4729182) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide
PubChem CID4729182
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide
SMILESCc1ccc(NC(=O)CC2(CC(=O)N(C)C)CCCC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C25H30N2O3/c1-18-11-12-21(20(15-18)24(30)19-9-5-4-6-10-19)26-22(28)16-25(13-7-8-14-25)17-23(29)27(2)3/h4-6,9-12,15H,7-8,13-14,16-17H2,1-3H3,(H,26,28)
InChIKeyPABVEIZQAZMBQH-UHFFFAOYSA-N
XLogP4.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
CID 1360092
2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 8893573
N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide
CID 4729190
N-(2-benzoyl-4-methylphenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719623
N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 4702291
2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]-N-(4-methoxyphenyl)acetamide
CID 4501300
4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide
CID 16804021
N-[2-benzoyl-4-[[2-(3-methylphenyl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 11236897
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
[2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone
CID 163846803
2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729554
N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide
CID 41099780

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide (CID 4729182) is N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide is Cc1ccc(NC(=O)CC2(CC(=O)N(C)C)CCCC2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide?
The InChIKey is PABVEIZQAZMBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-18-11-12-21(20(15-18)24(30)19-9-5-4-6-10-19)26-22(28)16-25(13-7-8-14-25)17-23(29)27(2)3/h4-6,9-12,15H,7-8,13-14,16-17H2,1-3H3,(H,26,28).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide?
N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide is sourced from PubChem (CID 4729182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).