2,4-diethoxy-3-oxo-N-phenylbutanamide

C14H19NO4 — CID 139998957

IUPAC2,4-diethoxy-3-oxo-N-phenylbutanamide
SMILESCCOCC(=O)C(OCC)C(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO4/c1-3-18-10-12(16)13(19-4-2)14(17)15-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,15,17)
InChIKeyNNVJYCFOMSJJOZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.64
Rot. Bonds8

About 2,4-diethoxy-3-oxo-N-phenylbutanamide

2,4-diethoxy-3-oxo-N-phenylbutanamide (PubChem CID 139998957) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,4-diethoxy-3-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name2,4-diethoxy-3-oxo-N-phenylbutanamide
PubChem CID139998957
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2,4-diethoxy-3-oxo-N-phenylbutanamide
SMILESCCOCC(=O)C(OCC)C(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO4/c1-3-18-10-12(16)13(19-4-2)14(17)15-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,15,17)
InChIKeyNNVJYCFOMSJJOZ-UHFFFAOYSA-N
XLogP1.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxypropylamino)-N-phenylpropanamide
CID 115663967
3-anilino-2-methoxy-3-oxopropanoic acid
CID 57113581
2-nonoxy-3-oxo-N-phenylbutanamide
CID 20558460
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate
CID 8709124
ethyl 4-anilino-3-methyl-4-oxobutanoate
CID 10633516
methyl 3-oxo-2-(phenylcarbamoyl)pentanoate
CID 10705741
ethyl 3-anilino-3-oxo-2-phenylpropanoate
CID 10062364
2-ethoxyethyl N-phenylcarbamate
CID 4101389
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-methyl-N-phenylpentanamide
CID 4627801
ethyl 3-anilino-2-cyano-3-oxopropanoate
CID 15707517

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-3-oxo-N-phenylbutanamide?
The IUPAC name of 2,4-diethoxy-3-oxo-N-phenylbutanamide (CID 139998957) is 2,4-diethoxy-3-oxo-N-phenylbutanamide.
What is the SMILES notation for 2,4-diethoxy-3-oxo-N-phenylbutanamide?
The canonical SMILES for 2,4-diethoxy-3-oxo-N-phenylbutanamide is CCOCC(=O)C(OCC)C(=O)Nc1ccccc1.
What is the InChIKey of 2,4-diethoxy-3-oxo-N-phenylbutanamide?
The InChIKey is NNVJYCFOMSJJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-18-10-12(16)13(19-4-2)14(17)15-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,15,17).
What are the key properties of 2,4-diethoxy-3-oxo-N-phenylbutanamide?
2,4-diethoxy-3-oxo-N-phenylbutanamide has a molecular weight of 265.31 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-3-oxo-N-phenylbutanamide is sourced from PubChem (CID 139998957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).