N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide

C16H22N2O2 — CID 2672753

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C2CCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12-7-9-14(10-8-12)17-15(19)11-18(2)16(20)13-5-3-4-6-13/h7-10,13H,3-6,11H2,1-2H3,(H,17,19)
InChIKeyORHWCZROUFKIHB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.58
Rot. Bonds4

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 2672753) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
PubChem CID2672753
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C2CCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12-7-9-14(10-8-12)17-15(19)11-18(2)16(20)13-5-3-4-6-13/h7-10,13H,3-6,11H2,1-2H3,(H,17,19)
InChIKeyORHWCZROUFKIHB-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 38008538
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 42907979
2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide
CID 102639899
N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 5059734
N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 166182865
2-[methyl-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]amino]-N-(4-methylphenyl)acetamide
CID 8742483
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583021
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 110890174
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863239

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide (CID 2672753) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide is Cc1ccc(NC(=O)CN(C)C(=O)C2CCCC2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is ORHWCZROUFKIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-7-9-14(10-8-12)17-15(19)11-18(2)16(20)13-5-3-4-6-13/h7-10,13H,3-6,11H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 2672753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).