2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide

C16H22N2O2 — CID 79119762

IUPAC2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C2CCC(=O)CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12-3-5-13(6-4-12)17-16(20)11-18(2)14-7-9-15(19)10-8-14/h3-6,14H,7-11H2,1-2H3,(H,17,20)
InChIKeyHCRUZKRRPRRNQD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.38
Rot. Bonds4

About 2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide

2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 79119762) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID79119762
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C2CCC(=O)CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12-3-5-13(6-4-12)17-16(20)11-18(2)14-7-9-15(19)10-8-14/h3-6,14H,7-11H2,1-2H3,(H,17,20)
InChIKeyHCRUZKRRPRRNQD-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922897
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide
CID 102639899
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79120015
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide (CID 79119762) is 2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C2CCC(=O)CC2)cc1.
What is the InChIKey of 2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is HCRUZKRRPRRNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-3-5-13(6-4-12)17-16(20)11-18(2)14-7-9-15(19)10-8-14/h3-6,14H,7-11H2,1-2H3,(H,17,20).
What are the key properties of 2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide?
2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 79119762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).