[2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate

C14H17ClN2O4 — CID 2571604

IUPAC[2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCCNC(=O)COC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4/c1-2-16-12(18)9-21-13(19)7-8-17-14(20)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,18)(H,17,20)
InChIKeyZCECXPQPCJMVND-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.14
Rot. Bonds7

About [2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate

[2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 2571604) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
PubChem CID2571604
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name[2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCCNC(=O)COC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4/c1-2-16-12(18)9-21-13(19)7-8-17-14(20)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,18)(H,17,20)
InChIKeyZCECXPQPCJMVND-UHFFFAOYSA-N
XLogP1.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate (CID 2571604) is [2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate is CCNC(=O)COC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is ZCECXPQPCJMVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-2-16-12(18)9-21-13(19)7-8-17-14(20)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,18)(H,17,20).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
[2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 312.75 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 2571604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).