ethyl 2-(4-acetylanilino)propanoate

C13H17NO3 — CID 62004850

IUPACethyl 2-(4-acetylanilino)propanoate
SMILESCCOC(=O)C(C)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C13H17NO3/c1-4-17-13(16)9(2)14-12-7-5-11(6-8-12)10(3)15/h5-9,14H,4H2,1-3H3
InChIKeyCKGJBHKFIYZOLK-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.25
Rot. Bonds5

About ethyl 2-(4-acetylanilino)propanoate

ethyl 2-(4-acetylanilino)propanoate (PubChem CID 62004850) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 2-(4-acetylanilino)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-acetylanilino)propanoate
PubChem CID62004850
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 2-(4-acetylanilino)propanoate
SMILESCCOC(=O)C(C)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C13H17NO3/c1-4-17-13(16)9(2)14-12-7-5-11(6-8-12)10(3)15/h5-9,14H,4H2,1-3H3
InChIKeyCKGJBHKFIYZOLK-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-acetylanilino)propanoate 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

ethyl (2R)-2-[4-(3-methylbutanoylamino)anilino]propanoate
CID 95628149
2-(4-acetylanilino)-N-methylpropanamide
CID 115573414
ethyl 2-[4-(trifluoromethylsulfonyl)anilino]propanoate
CID 61498768
ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate
CID 61499285
1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone
CID 115576830
ethyl 2-(2-acetylanilino)propanoate
CID 67790607
ethyl 2-[3,4-bis(trifluoromethyl)anilino]propanoate
CID 86652692
ethyl 4-(2,6-dimethylheptan-4-ylamino)benzoate
CID 43321695
1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 142294720
methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-acetylanilino)propanoate?
The IUPAC name of ethyl 2-(4-acetylanilino)propanoate (CID 62004850) is ethyl 2-(4-acetylanilino)propanoate.
What is the SMILES notation for ethyl 2-(4-acetylanilino)propanoate?
The canonical SMILES for ethyl 2-(4-acetylanilino)propanoate is CCOC(=O)C(C)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of ethyl 2-(4-acetylanilino)propanoate?
The InChIKey is CKGJBHKFIYZOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-17-13(16)9(2)14-12-7-5-11(6-8-12)10(3)15/h5-9,14H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-acetylanilino)propanoate?
ethyl 2-(4-acetylanilino)propanoate has a molecular weight of 235.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-acetylanilino)propanoate is sourced from PubChem (CID 62004850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).