3-ethoxy-2-oxo-N,N-diphenylbutanamide

C18H19NO3 — CID 174477182

IUPAC3-ethoxy-2-oxo-N,N-diphenylbutanamide
SMILESCCOC(C)C(=O)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-3-22-14(2)17(20)18(21)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyCYCSLUKMKKJXOL-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.35
Rot. Bonds6

About 3-ethoxy-2-oxo-N,N-diphenylbutanamide

3-ethoxy-2-oxo-N,N-diphenylbutanamide (PubChem CID 174477182) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-ethoxy-2-oxo-N,N-diphenylbutanamide.

Molecular Properties

Compound Name3-ethoxy-2-oxo-N,N-diphenylbutanamide
PubChem CID174477182
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-ethoxy-2-oxo-N,N-diphenylbutanamide
SMILESCCOC(C)C(=O)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-3-22-14(2)17(20)18(21)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyCYCSLUKMKKJXOL-UHFFFAOYSA-N
XLogP3.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 134840608
CID 134840608
3-ethoxy-1,1-diphenylurea
CID 162373128
diethyl 2-[1-oxo-1-(N-phenylanilino)propan-2-yl]propanedioate
CID 135072806
N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide
CID 141426633
2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide
CID 139898378
CID 159685847
CID 159685847
benzene;1,1-diphenyl-3-propan-2-ylurea
CID 70614789
N,N-diphenyl-2-(1-phenylethylamino)acetamide
CID 68968814
octyl 2-oxo-2-(N-phenylanilino)acetate
CID 141196230
butane;1,1-diphenylurea
CID 70397101
N-phenylpropanehydrazide
CID 18522904
3-chloro-N,N-diphenylpropanamide
CID 3331408

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-oxo-N,N-diphenylbutanamide?
The IUPAC name of 3-ethoxy-2-oxo-N,N-diphenylbutanamide (CID 174477182) is 3-ethoxy-2-oxo-N,N-diphenylbutanamide.
What is the SMILES notation for 3-ethoxy-2-oxo-N,N-diphenylbutanamide?
The canonical SMILES for 3-ethoxy-2-oxo-N,N-diphenylbutanamide is CCOC(C)C(=O)C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-ethoxy-2-oxo-N,N-diphenylbutanamide?
The InChIKey is CYCSLUKMKKJXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-22-14(2)17(20)18(21)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3.
What are the key properties of 3-ethoxy-2-oxo-N,N-diphenylbutanamide?
3-ethoxy-2-oxo-N,N-diphenylbutanamide has a molecular weight of 297.35 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-oxo-N,N-diphenylbutanamide is sourced from PubChem (CID 174477182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).