ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate

C15H19ClN2O4 — CID 91637595

IUPACethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O4/c1-2-22-14(20)8-10-17-13(19)7-9-18-15(21)11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3,(H,17,19)(H,18,21)
InChIKeyFTRBTXDLAPZKFM-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.53
Rot. Bonds8

About ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate

ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate (PubChem CID 91637595) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
PubChem CID91637595
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Nameethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O4/c1-2-22-14(20)8-10-17-13(19)7-9-18-15(21)11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3,(H,17,19)(H,18,21)
InChIKeyFTRBTXDLAPZKFM-UHFFFAOYSA-N
XLogP1.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(2-ethylbenzoyl)amino]propanoate
CID 70914012
pentyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716440
ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7958134
decyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716594
ethyl 4-[2-[(2-fluorobenzoyl)amino]ethylamino]-4-oxobutanoate
CID 108570798
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9480573
ethyl 4-[(3-chloro-2-fluorobenzoyl)amino]butanoate
CID 80979995
ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate
CID 108573410
2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide
CID 7962772
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 78916962

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate?
The IUPAC name of ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate (CID 91637595) is ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate.
What is the SMILES notation for ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate?
The canonical SMILES for ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate is CCOC(=O)CCNC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate?
The InChIKey is FTRBTXDLAPZKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-2-22-14(20)8-10-17-13(19)7-9-18-15(21)11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3,(H,17,19)(H,18,21).
What are the key properties of ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate?
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate has a molecular weight of 326.78 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate is sourced from PubChem (CID 91637595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).