N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide

C13H17NO4 — CID 18072376

IUPACN-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
SMILESCCOc1ccc(NC(=O)CC(C)=O)cc1OC
InChIInChI=1S/C13H17NO4/c1-4-18-11-6-5-10(8-12(11)17-3)14-13(16)7-9(2)15/h5-6,8H,4,7H2,1-3H3,(H,14,16)
InChIKeyIUHXVKSNSZGYHA-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.01
Rot. Bonds6

About N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide

N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide (PubChem CID 18072376) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
PubChem CID18072376
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
SMILESCCOc1ccc(NC(=O)CC(C)=O)cc1OC
InChIInChI=1S/C13H17NO4/c1-4-18-11-6-5-10(8-12(11)17-3)14-13(16)7-9(2)15/h5-6,8H,4,7H2,1-3H3,(H,14,16)
InChIKeyIUHXVKSNSZGYHA-UHFFFAOYSA-N
XLogP2.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.01
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-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
N-[3-ethoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513215
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
N-[4-methoxy-3-[2-methoxy-5-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide
CID 101275812
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(4-ethoxy-3-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531081
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide
CID 86901200
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide?
The IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide (CID 18072376) is N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide.
What is the SMILES notation for N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide?
The canonical SMILES for N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide is CCOc1ccc(NC(=O)CC(C)=O)cc1OC.
What is the InChIKey of N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide?
The InChIKey is IUHXVKSNSZGYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-4-18-11-6-5-10(8-12(11)17-3)14-13(16)7-9(2)15/h5-6,8H,4,7H2,1-3H3,(H,14,16).
What are the key properties of N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide?
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide has a molecular weight of 251.28 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide is sourced from PubChem (CID 18072376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).