N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide

C16H21NO2 — CID 47121272

IUPACN-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C16H21NO2/c1-11-7-9-13(10-8-11)15(18)16(19)17-14-6-4-3-5-12(14)2/h7-10,12,14H,3-6H2,1-2H3,(H,17,19)
InChIKeyAAUIUOFHOSEOEE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.87
Rot. Bonds3

About N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide

N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 47121272) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID47121272
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C16H21NO2/c1-11-7-9-13(10-8-11)15(18)16(19)17-14-6-4-3-5-12(14)2/h7-10,12,14H,3-6H2,1-2H3,(H,17,19)
InChIKeyAAUIUOFHOSEOEE-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-methylbenzoate
CID 11919738
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
CID 894002
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
N'-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 124605602
2-chloro-N-(2-methylcycloheptyl)prop-2-enamide
CID 131015397

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide (CID 47121272) is N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)NC2CCCCC2C)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is AAUIUOFHOSEOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-7-9-13(10-8-11)15(18)16(19)17-14-6-4-3-5-12(14)2/h7-10,12,14H,3-6H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide?
N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 259.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 47121272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).