N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide

C16H21NO3 — CID 79119469

IUPACN-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide
SMILESCN(C(=O)CCOc1ccccc1)C1CCC(=O)CC1
InChIInChI=1S/C16H21NO3/c1-17(13-7-9-14(18)10-8-13)16(19)11-12-20-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKeyMGZYIVTTXSCLGN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.43
Rot. Bonds5

About N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide

N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide (PubChem CID 79119469) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide
PubChem CID79119469
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide
SMILESCN(C(=O)CCOc1ccccc1)C1CCC(=O)CC1
InChIInChI=1S/C16H21NO3/c1-17(13-7-9-14(18)10-8-13)16(19)11-12-20-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKeyMGZYIVTTXSCLGN-UHFFFAOYSA-N
XLogP2.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-oxocyclohexyl)butanamide
CID 79120295
3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
CID 61090557
N-ethyl-3-phenoxy-N-piperidin-3-ylpropanamide
CID 60807230
4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid
CID 66238376
N,N-dimethyl-6-phenoxyhexanamide
CID 142596913
methyl-(4-oxocyclohexyl)carbamic acid
CID 22236346
N-methyl-3-(2-phenylphenoxy)-N-piperidin-4-ylpropanamide
CID 119443416
N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide
CID 54997696
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
CID 62626003
1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110441101

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide?
The IUPAC name of N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide (CID 79119469) is N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide.
What is the SMILES notation for N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide?
The canonical SMILES for N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide is CN(C(=O)CCOc1ccccc1)C1CCC(=O)CC1.
What is the InChIKey of N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide?
The InChIKey is MGZYIVTTXSCLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17(13-7-9-14(18)10-8-13)16(19)11-12-20-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3.
What are the key properties of N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide?
N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide has a molecular weight of 275.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide is sourced from PubChem (CID 79119469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).