3-oxo-N-phenyl-N-phenylmethoxybutanamide

C17H17NO3 — CID 12589379

IUPAC3-oxo-N-phenyl-N-phenylmethoxybutanamide
SMILESCC(=O)CC(=O)N(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-14(19)12-17(20)18(16-10-6-3-7-11-16)21-13-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKeyJIJQKQSMPCZRDG-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.13
Rot. Bonds6

About 3-oxo-N-phenyl-N-phenylmethoxybutanamide

3-oxo-N-phenyl-N-phenylmethoxybutanamide (PubChem CID 12589379) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-oxo-N-phenyl-N-phenylmethoxybutanamide.

Molecular Properties

Compound Name3-oxo-N-phenyl-N-phenylmethoxybutanamide
PubChem CID12589379
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-oxo-N-phenyl-N-phenylmethoxybutanamide
SMILESCC(=O)CC(=O)N(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-14(19)12-17(20)18(16-10-6-3-7-11-16)21-13-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKeyJIJQKQSMPCZRDG-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-ethoxy-N-phenylcarbamate
CID 175623586
N-acetyl-3-oxo-N-phenylbutanamide
CID 88604895
CID 159685847
CID 159685847
methyl 4-[phenylmethoxy(phenylmethoxycarbonyl)amino]benzoate
CID 166448168
N-hydroxy-N-phenylmethoxyacetamide
CID 173249339
N-phenylmethoxyacetohydrazide
CID 174450270
methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate
CID 142799155
3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea
CID 12589377
3-[acetyl(phenylmethoxy)amino]propanoic acid
CID 10060062
1-methoxy-3-methyl-1-phenylmethoxyurea
CID 15933183
ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate
CID 174328057
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-phenyl-N-phenylmethoxybutanamide?
The IUPAC name of 3-oxo-N-phenyl-N-phenylmethoxybutanamide (CID 12589379) is 3-oxo-N-phenyl-N-phenylmethoxybutanamide.
What is the SMILES notation for 3-oxo-N-phenyl-N-phenylmethoxybutanamide?
The canonical SMILES for 3-oxo-N-phenyl-N-phenylmethoxybutanamide is CC(=O)CC(=O)N(OCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-oxo-N-phenyl-N-phenylmethoxybutanamide?
The InChIKey is JIJQKQSMPCZRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-14(19)12-17(20)18(16-10-6-3-7-11-16)21-13-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3.
What are the key properties of 3-oxo-N-phenyl-N-phenylmethoxybutanamide?
3-oxo-N-phenyl-N-phenylmethoxybutanamide has a molecular weight of 283.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-phenyl-N-phenylmethoxybutanamide is sourced from PubChem (CID 12589379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).