ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate

C19H22N2O4 — CID 140996203

IUPACethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C19H22N2O4/c1-3-25-19(23)16(11-13-7-5-4-6-8-13)21-18(22)14-9-10-17(24-2)15(20)12-14/h4-10,12,16H,3,11,20H2,1-2H3,(H,21,22)
InChIKeyQOVUMGXEUMYZTR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.18
Rot. Bonds7

About ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate

ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate (PubChem CID 140996203) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
PubChem CID140996203
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C19H22N2O4/c1-3-25-19(23)16(11-13-7-5-4-6-8-13)21-18(22)14-9-10-17(24-2)15(20)12-14/h4-10,12,16H,3,11,20H2,1-2H3,(H,21,22)
InChIKeyQOVUMGXEUMYZTR-UHFFFAOYSA-N
XLogP2.18
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 57029347
ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18323152
[2-(4-methylphenyl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 3513552
ethyl (2S)-3-phenyl-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
CID 129232233
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
ethyl (2S)-3-[4-(benzylcarbamoyl)phenyl]-2-[(2,6-dimethoxybenzoyl)amino]propanoate
CID 57077994
methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate
CID 2801513
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
ethyl 2-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 12607993
(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid
CID 2577208
ethyl 2-[(3-nitrobenzoyl)amino]-3-phenylpropanoate
CID 43877553

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate (CID 140996203) is ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NC(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate?
The InChIKey is QOVUMGXEUMYZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-25-19(23)16(11-13-7-5-4-6-8-13)21-18(22)14-9-10-17(24-2)15(20)12-14/h4-10,12,16H,3,11,20H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate?
ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate has a molecular weight of 342.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 140996203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).