ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate

C14H20N2O4 — CID 61498178

IUPACethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(OCC)c(N)c1
InChIInChI=1S/C14H20N2O4/c1-4-19-12-7-6-10(8-11(12)15)13(17)16-9(3)14(18)20-5-2/h6-9H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyQMXGHCPTAABRCJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.35
Rot. Bonds6

About ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate

ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate (PubChem CID 61498178) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
PubChem CID61498178
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(OCC)c(N)c1
InChIInChI=1S/C14H20N2O4/c1-4-19-12-7-6-10(8-11(12)15)13(17)16-9(3)14(18)20-5-2/h6-9H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyQMXGHCPTAABRCJ-UHFFFAOYSA-N
XLogP1.35
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.35
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 2-[(3-amino-4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 61095584
3-amino-4-ethoxy-N-octan-2-ylbenzamide
CID 61476185
3-amino-4-ethoxy-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64628978
3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
CID 61094806
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide
CID 61476191
3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 61093835
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
2-[(3-amino-4-propoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 110496619
3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61126328
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385
3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471915

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate (CID 61498178) is ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1ccc(OCC)c(N)c1.
What is the InChIKey of ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate?
The InChIKey is QMXGHCPTAABRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-19-12-7-6-10(8-11(12)15)13(17)16-9(3)14(18)20-5-2/h6-9H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate?
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate has a molecular weight of 280.32 g/mol, XLogP of 1.35, 6 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-ethoxybenzoyl)amino]propanoate is sourced from PubChem (CID 61498178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).