2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide

C22H26N2O2 — CID 20735464

IUPAC2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)CC2CCCC2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C22H26N2O2/c1-15-6-10-18(11-7-15)23-21(25)14-17-4-3-5-20(17)22(26)24-19-12-8-16(2)9-13-19/h6-13,17,20H,3-5,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZFDZIMOTPCWTIT-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.69
Rot. Bonds5

About 2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide

2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 20735464) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide
PubChem CID20735464
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)CC2CCCC2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C22H26N2O2/c1-15-6-10-18(11-7-15)23-21(25)14-17-4-3-5-20(17)22(26)24-19-12-8-16(2)9-13-19/h6-13,17,20H,3-5,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZFDZIMOTPCWTIT-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide
CID 58862999
N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 177026780
2-[(2-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)acetamide
CID 64911376
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110856788
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 4990951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide (CID 20735464) is 2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide is Cc1ccc(NC(=O)CC2CCCC2C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is ZFDZIMOTPCWTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-6-10-18(11-7-15)23-21(25)14-17-4-3-5-20(17)22(26)24-19-12-8-16(2)9-13-19/h6-13,17,20H,3-5,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide?
2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 20735464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).