methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate

C18H19NO4 — CID 20689587

IUPACmethyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(O)cc1)Nc1ccccc1C(C)=O
InChIInChI=1S/C18H19NO4/c1-12(20)15-5-3-4-6-16(15)19-17(18(22)23-2)11-13-7-9-14(21)10-8-13/h3-10,17,19,21H,11H2,1-2H3
InChIKeyNFFHMKCLDCWATJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.79
Rot. Bonds6

About methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate

methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate (PubChem CID 20689587) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate
PubChem CID20689587
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(O)cc1)Nc1ccccc1C(C)=O
InChIInChI=1S/C18H19NO4/c1-12(20)15-5-3-4-6-16(15)19-17(18(22)23-2)11-13-7-9-14(21)10-8-13/h3-10,17,19,21H,11H2,1-2H3
InChIKeyNFFHMKCLDCWATJ-UHFFFAOYSA-N
XLogP2.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)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

methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 56777278
ethenyl (2S)-2-(2-benzoylanilino)-3-(4-hydroxyphenyl)propanoate
CID 21034963
methyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoate;hydrobromide
CID 70618594
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate
CID 86606580
methyl 2-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 69207158
dimethyl 2-[(4-hydroxyphenyl)methyl]propanedioate
CID 54350942
methyl (2S)-2-[[3,5-bis[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 139041889
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
methyl 2-[(4-hydroxyphenyl)methyl]-3-oxobutanoate
CID 54108522
methyl (2S)-2-(2-benzoylanilino)-3-[4-[2-(N-phenylanilino)ethoxy]phenyl]propanoate
CID 69127076
methyl 2-(2-benzoylanilino)-3-[4-[2-(benzylamino)ethoxy]phenyl]propanoate
CID 69128324

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate (CID 20689587) is methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate is COC(=O)C(Cc1ccc(O)cc1)Nc1ccccc1C(C)=O.
What is the InChIKey of methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate?
The InChIKey is NFFHMKCLDCWATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12(20)15-5-3-4-6-16(15)19-17(18(22)23-2)11-13-7-9-14(21)10-8-13/h3-10,17,19,21H,11H2,1-2H3.
What are the key properties of methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate?
methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate has a molecular weight of 313.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 20689587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).