N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide

C13H17NO3 — CID 96673990

IUPACN-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
SMILESCCOc1ccc(CC(C)=O)cc1NC(C)=O
InChIInChI=1S/C13H17NO3/c1-4-17-13-6-5-11(7-9(2)15)8-12(13)14-10(3)16/h5-6,8H,4,7H2,1-3H3,(H,14,16)
InChIKeyZRDGBMRMMFGNAS-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.18
Rot. Bonds5

About N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide

N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide (PubChem CID 96673990) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
PubChem CID96673990
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
SMILESCCOc1ccc(CC(C)=O)cc1NC(C)=O
InChIInChI=1S/C13H17NO3/c1-4-17-13-6-5-11(7-9(2)15)8-12(13)14-10(3)16/h5-6,8H,4,7H2,1-3H3,(H,14,16)
InChIKeyZRDGBMRMMFGNAS-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-acetamido-4-ethoxyphenyl)acetamide
CID 96674142
N-[2-ethoxy-5-(hydroxymethyl)phenyl]acetamide
CID 82470650
1-(4-ethoxy-3-fluorophenyl)propan-2-one
CID 82491351
1-(3-amino-4-ethoxyphenyl)propan-2-one
CID 54371004
N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide
CID 98015653
N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide
CID 110790279
3-acetamido-4-ethoxybenzenesulfonic acid
CID 82483875
1-[4-ethoxy-3-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 118809816
N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
CID 112514063
N-[2-ethoxy-5-[2-hydroxy-1-(methylamino)propan-2-yl]phenyl]acetamide
CID 112513667
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-[4-bromo-5-ethoxy-2-[(4-ethylphenyl)methyl]phenyl]acetamide
CID 69260062

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide?
The IUPAC name of N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide (CID 96673990) is N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide.
What is the SMILES notation for N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide?
The canonical SMILES for N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide is CCOc1ccc(CC(C)=O)cc1NC(C)=O.
What is the InChIKey of N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide?
The InChIKey is ZRDGBMRMMFGNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-17-13-6-5-11(7-9(2)15)8-12(13)14-10(3)16/h5-6,8H,4,7H2,1-3H3,(H,14,16).
What are the key properties of N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide?
N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide has a molecular weight of 235.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide is sourced from PubChem (CID 96673990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).