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

C19H22N2O4 — CID 18323152

IUPACethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc(OC)c(N)c1)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-3-25-18(22)12-16(13-7-5-4-6-8-13)21-19(23)14-9-10-17(24-2)15(20)11-14/h4-11,16H,3,12,20H2,1-2H3,(H,21,23)
InChIKeyVQVSVDPSZLALAR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.70
Rot. Bonds7

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

ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate (PubChem CID 18323152) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
PubChem CID18323152
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc(OC)c(N)c1)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-3-25-18(22)12-16(13-7-5-4-6-8-13)21-19(23)14-9-10-17(24-2)15(20)11-14/h4-11,16H,3,12,20H2,1-2H3,(H,21,23)
InChIKeyVQVSVDPSZLALAR-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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

3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18322927
ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 140996203
propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate
CID 46483434
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide
CID 43498531
ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
CID 46483385
ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7310426
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate (CID 18323152) is ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate is CCOC(=O)CC(NC(=O)c1ccc(OC)c(N)c1)c1ccccc1.
What is the InChIKey of ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate?
The InChIKey is VQVSVDPSZLALAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-25-18(22)12-16(13-7-5-4-6-8-13)21-19(23)14-9-10-17(24-2)15(20)11-14/h4-11,16H,3,12,20H2,1-2H3,(H,21,23).
What are the key properties of ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate?
ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate has a molecular weight of 342.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 18323152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).