ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate

C15H19ClN2O4 — CID 78901913

IUPACethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O4/c1-3-18(10-14(20)22-4-2)13(19)9-17-15(21)11-7-5-6-8-12(11)16/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyMMRXZVXTOQSOJB-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.48
Rot. Bonds7

About ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate

ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate (PubChem CID 78901913) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
PubChem CID78901913
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Nameethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O4/c1-3-18(10-14(20)22-4-2)13(19)9-17-15(21)11-7-5-6-8-12(11)16/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyMMRXZVXTOQSOJB-UHFFFAOYSA-N
XLogP1.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 60670695
ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
CID 78902099
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 24546452
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate
CID 81227208
2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 61021393
2-[[2-[(2-chlorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid
CID 79264733
tert-butyl 2-[(2-chlorobenzoyl)amino]acetate
CID 78966461
ethyl 2-[(5-bromo-2-chlorobenzoyl)-ethylamino]acetate
CID 61021378
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate?
The IUPAC name of ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate (CID 78901913) is ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate?
The canonical SMILES for ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate?
The InChIKey is MMRXZVXTOQSOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-3-18(10-14(20)22-4-2)13(19)9-17-15(21)11-7-5-6-8-12(11)16/h5-8H,3-4,9-10H2,1-2H3,(H,17,21).
What are the key properties of ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate?
ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate has a molecular weight of 326.78 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate is sourced from PubChem (CID 78901913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).