[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate

C14H17ClN2O4 — CID 7197668

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate
SMILESCC(=O)NCCC(=O)OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4/c1-10(18)16-7-6-14(20)21-9-13(19)17-8-11-2-4-12(15)5-3-11/h2-5H,6-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyCHXNEUVVMDJHTM-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.03
Rot. Bonds7

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate (PubChem CID 7197668) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate
PubChem CID7197668
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate
SMILESCC(=O)NCCC(=O)OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4/c1-10(18)16-7-6-14(20)21-9-13(19)17-8-11-2-4-12(15)5-3-11/h2-5H,6-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyCHXNEUVVMDJHTM-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 2571604
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate
CID 4962992
[2-[(2,4-Dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717266
(2-Amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 2118289
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2435045
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 4235031
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 4336514
[2-oxo-2-(1-phenylethylamino)ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 6284304
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2092446
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2100301
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 2-methylpropanoate
CID 2112567
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate
CID 2371650

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate (CID 7197668) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate is CC(=O)NCCC(=O)OCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate?
The InChIKey is CHXNEUVVMDJHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-10(18)16-7-6-14(20)21-9-13(19)17-8-11-2-4-12(15)5-3-11/h2-5H,6-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate has a molecular weight of 312.75 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidopropanoate is sourced from PubChem (CID 7197668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).