N-(3-ethoxyphenyl)-3-oxobutanamide

C12H15NO3 — CID 3532534

IUPACN-(3-ethoxyphenyl)-3-oxobutanamide
SMILESCCOc1cccc(NC(=O)CC(C)=O)c1
InChIInChI=1S/C12H15NO3/c1-3-16-11-6-4-5-10(8-11)13-12(15)7-9(2)14/h4-6,8H,3,7H2,1-2H3,(H,13,15)
InChIKeyFSGHHCNHNJYYHE-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.00
Rot. Bonds5

About N-(3-ethoxyphenyl)-3-oxobutanamide

N-(3-ethoxyphenyl)-3-oxobutanamide (PubChem CID 3532534) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-3-oxobutanamide
PubChem CID3532534
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(3-ethoxyphenyl)-3-oxobutanamide
SMILESCCOc1cccc(NC(=O)CC(C)=O)c1
InChIInChI=1S/C12H15NO3/c1-3-16-11-6-4-5-10(8-11)13-12(15)7-9(2)14/h4-6,8H,3,7H2,1-2H3,(H,13,15)
InChIKeyFSGHHCNHNJYYHE-UHFFFAOYSA-N
XLogP2.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
CID 134119682
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
[3-(3-oxobutanoylamino)phenyl] hydrogen sulfite
CID 57119666
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87027979

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-3-oxobutanamide?
The IUPAC name of N-(3-ethoxyphenyl)-3-oxobutanamide (CID 3532534) is N-(3-ethoxyphenyl)-3-oxobutanamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-3-oxobutanamide?
The canonical SMILES for N-(3-ethoxyphenyl)-3-oxobutanamide is CCOc1cccc(NC(=O)CC(C)=O)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-3-oxobutanamide?
The InChIKey is FSGHHCNHNJYYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-16-11-6-4-5-10(8-11)13-12(15)7-9(2)14/h4-6,8H,3,7H2,1-2H3,(H,13,15).
What are the key properties of N-(3-ethoxyphenyl)-3-oxobutanamide?
N-(3-ethoxyphenyl)-3-oxobutanamide has a molecular weight of 221.26 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-3-oxobutanamide is sourced from PubChem (CID 3532534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).