ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate

C15H19ClN2O4 — CID 78902099

IUPACethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O4/c1-3-18(10-14(20)22-4-2)13(19)9-17-15(21)11-6-5-7-12(16)8-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyQTNLJFOWAQYJEZ-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.48
Rot. Bonds7

About ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate

ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate (PubChem CID 78902099) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
PubChem CID78902099
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Nameethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O4/c1-3-18(10-14(20)22-4-2)13(19)9-17-15(21)11-6-5-7-12(16)8-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyQTNLJFOWAQYJEZ-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

ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
CID 78901913
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 78800713
N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide
CID 107034454
N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 31236222
ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
CID 61021485
3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide
CID 86908282
2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid
CID 60827367
3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 51193380
3-chloro-N-[2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 31670964
3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 41437401

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate?
The IUPAC name of ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate (CID 78902099) is ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate?
The canonical SMILES for ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate?
The InChIKey is QTNLJFOWAQYJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-3-18(10-14(20)22-4-2)13(19)9-17-15(21)11-6-5-7-12(16)8-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,21).
What are the key properties of ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate?
ethyl 2-[[2-[(3-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-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate is sourced from PubChem (CID 78902099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).