ethyl 4-(3-benzamidopropanoylamino)benzoate

C19H20N2O4 — CID 8885472

IUPACethyl 4-(3-benzamidopropanoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c1-2-25-19(24)15-8-10-16(11-9-15)21-17(22)12-13-20-18(23)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyGMLZLRQIKZHAIK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.62
Rot. Bonds7

About ethyl 4-(3-benzamidopropanoylamino)benzoate

ethyl 4-(3-benzamidopropanoylamino)benzoate (PubChem CID 8885472) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 4-(3-benzamidopropanoylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(3-benzamidopropanoylamino)benzoate
PubChem CID8885472
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Nameethyl 4-(3-benzamidopropanoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c1-2-25-19(24)15-8-10-16(11-9-15)21-17(22)12-13-20-18(23)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyGMLZLRQIKZHAIK-UHFFFAOYSA-N
XLogP2.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
CID 24636986
propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
CID 26704483
ethyl 4-[3-(propylamino)propanoylamino]benzoate
CID 109011620
ethyl 4-[3-[[(2S)-2-bromobutanoyl]amino]propanoylamino]benzoate
CID 40803216
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057
N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide
CID 33034304
ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate
CID 109039451
methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7741241
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26213288
methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
CID 26688492
ethyl 4-[[2-(3-phenylpropanoylamino)acetyl]amino]benzoate
CID 113000783

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-benzamidopropanoylamino)benzoate?
The IUPAC name of ethyl 4-(3-benzamidopropanoylamino)benzoate (CID 8885472) is ethyl 4-(3-benzamidopropanoylamino)benzoate.
What is the SMILES notation for ethyl 4-(3-benzamidopropanoylamino)benzoate?
The canonical SMILES for ethyl 4-(3-benzamidopropanoylamino)benzoate is CCOC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 4-(3-benzamidopropanoylamino)benzoate?
The InChIKey is GMLZLRQIKZHAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-25-19(24)15-8-10-16(11-9-15)21-17(22)12-13-20-18(23)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of ethyl 4-(3-benzamidopropanoylamino)benzoate?
ethyl 4-(3-benzamidopropanoylamino)benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-benzamidopropanoylamino)benzoate is sourced from PubChem (CID 8885472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).