N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide

C13H17NO3 — CID 54876649

IUPACN-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
SMILESCC(=O)CC(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C13H17NO3/c1-11(15)10-13(16)14(2)8-9-17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
InChIKeyQSVUHRZFPYHSFJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.50
Rot. Bonds6

About N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide

N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide (PubChem CID 54876649) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide.

Molecular Properties

Compound NameN-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
PubChem CID54876649
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
SMILESCC(=O)CC(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C13H17NO3/c1-11(15)10-13(16)14(2)8-9-17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
InChIKeyQSVUHRZFPYHSFJ-UHFFFAOYSA-N
XLogP1.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914965
2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781233
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060237
2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
CID 60944728
(E)-4-[methyl(2-phenoxyethyl)amino]-4-oxobut-2-enoic acid
CID 54874915
3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 51161234
3-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 78783855
4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 27822358
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide?
The IUPAC name of N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide (CID 54876649) is N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide.
What is the SMILES notation for N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide?
The canonical SMILES for N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide is CC(=O)CC(=O)N(C)CCOc1ccccc1.
What is the InChIKey of N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide?
The InChIKey is QSVUHRZFPYHSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-11(15)10-13(16)14(2)8-9-17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3.
What are the key properties of N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide?
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide has a molecular weight of 235.28 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide is sourced from PubChem (CID 54876649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).