ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate

C15H19ClN2O4 — CID 171703685

IUPACethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)C(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O4/c1-4-22-13(19)9-18(3)15(21)10(2)17-14(20)11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,17,20)
InChIKeyJESCTJZOPKEHLN-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.48
Rot. Bonds6

About ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate

ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate (PubChem CID 171703685) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate
PubChem CID171703685
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Nameethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)C(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O4/c1-4-22-13(19)9-18(3)15(21)10(2)17-14(20)11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,17,20)
InChIKeyJESCTJZOPKEHLN-UHFFFAOYSA-N
XLogP1.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate
CID 121220788
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide
CID 103106395
4-chloro-N-[(2S)-1-[[(2S)-1-cyanopropan-2-yl]-methylamino]-1-oxopropan-2-yl]benzamide
CID 96533988
4-chloro-N-propan-2-ylbenzamide
CID 24045
3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103106417
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
ethyl 2-[(4-bromobenzoyl)amino]propanoate
CID 19166830
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119408578
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
4-chloro-N-[1-[2-(2-methylpropanoylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 112767742
ethyl 2-[(2-acetamido-3-methylbutanoyl)-methylamino]acetate
CID 55003873
N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 119661014

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate?
The IUPAC name of ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate (CID 171703685) is ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate is CCOC(=O)CN(C)C(=O)C(C)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate?
The InChIKey is JESCTJZOPKEHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-4-22-13(19)9-18(3)15(21)10(2)17-14(20)11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,17,20).
What are the key properties of ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate?
ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate has a molecular weight of 326.78 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate is sourced from PubChem (CID 171703685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).