ethyl 3-[(2-ethylbenzoyl)amino]propanoate

C14H19NO3 — CID 70914012

IUPACethyl 3-[(2-ethylbenzoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1ccccc1CC
InChIInChI=1S/C14H19NO3/c1-3-11-7-5-6-8-12(11)14(17)15-10-9-13(16)18-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyREEQIXIJXPXRQG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.93
Rot. Bonds6

About ethyl 3-[(2-ethylbenzoyl)amino]propanoate

ethyl 3-[(2-ethylbenzoyl)amino]propanoate (PubChem CID 70914012) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 3-[(2-ethylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-ethylbenzoyl)amino]propanoate
PubChem CID70914012
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 3-[(2-ethylbenzoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1ccccc1CC
InChIInChI=1S/C14H19NO3/c1-3-11-7-5-6-8-12(11)14(17)15-10-9-13(16)18-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyREEQIXIJXPXRQG-UHFFFAOYSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
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ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
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ethyl 4-[2-[(2-fluorobenzoyl)amino]ethylamino]-4-oxobutanoate
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ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
ethyl 3-[(1-chloroisoquinoline-4-carbonyl)amino]propanoate
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ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate
CID 10015078
dodecyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710231
hexyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710225
2-ethyl-N-(6-hydroxyhexyl)benzamide
CID 103918854
ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate
CID 108900641
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-ethylbenzoyl)amino]propanoate?
The IUPAC name of ethyl 3-[(2-ethylbenzoyl)amino]propanoate (CID 70914012) is ethyl 3-[(2-ethylbenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2-ethylbenzoyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(2-ethylbenzoyl)amino]propanoate is CCOC(=O)CCNC(=O)c1ccccc1CC.
What is the InChIKey of ethyl 3-[(2-ethylbenzoyl)amino]propanoate?
The InChIKey is REEQIXIJXPXRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-11-7-5-6-8-12(11)14(17)15-10-9-13(16)18-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of ethyl 3-[(2-ethylbenzoyl)amino]propanoate?
ethyl 3-[(2-ethylbenzoyl)amino]propanoate has a molecular weight of 249.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-ethylbenzoyl)amino]propanoate is sourced from PubChem (CID 70914012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).