N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide

C16H20N2O5 — CID 23513215

IUPACN-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
SMILESCCOc1cc(NC(=O)CC(C)=O)ccc1NC(=O)CC(C)=O
InChIInChI=1S/C16H20N2O5/c1-4-23-14-9-12(17-15(21)7-10(2)19)5-6-13(14)18-16(22)8-11(3)20/h5-6,9H,4,7-8H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyLYASLKGUACCWCL-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.92
Rot. Bonds8

About N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide

N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide (PubChem CID 23513215) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
PubChem CID23513215
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC NameN-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
SMILESCCOc1cc(NC(=O)CC(C)=O)ccc1NC(=O)CC(C)=O
InChIInChI=1S/C16H20N2O5/c1-4-23-14-9-12(17-15(21)7-10(2)19)5-6-13(14)18-16(22)8-11(3)20/h5-6,9H,4,7-8H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyLYASLKGUACCWCL-UHFFFAOYSA-N
XLogP1.92
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetamido-3-ethoxyanilino)-3-oxopropanoic acid
CID 56605115
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376
N-[2-chloro-5-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513232
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955673
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
N-(4-amino-2-ethoxyphenyl)propanamide
CID 95910426
2-amino-N-(4-chloro-2-ethoxyphenyl)acetamide;hydrochloride
CID 119337558

Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide?
The IUPAC name of N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide (CID 23513215) is N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide.
What is the SMILES notation for N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide?
The canonical SMILES for N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide is CCOc1cc(NC(=O)CC(C)=O)ccc1NC(=O)CC(C)=O.
What is the InChIKey of N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide?
The InChIKey is LYASLKGUACCWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-4-23-14-9-12(17-15(21)7-10(2)19)5-6-13(14)18-16(22)8-11(3)20/h5-6,9H,4,7-8H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide?
N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide has a molecular weight of 320.35 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide is sourced from PubChem (CID 23513215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).