ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate

C13H17ClN2O3 — CID 54900426

IUPACethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-3-16(9-12(17)19-4-2)13(18)15-11-7-5-10(14)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyZDMLTQSJBNPWMN-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.76
Rot. Bonds5

About ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate

ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate (PubChem CID 54900426) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate
PubChem CID54900426
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Nameethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-3-16(9-12(17)19-4-2)13(18)15-11-7-5-10(14)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyZDMLTQSJBNPWMN-UHFFFAOYSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
CID 82354382
ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate
CID 61008817
3-(4-chlorophenyl)-1-ethyl-1-prop-2-ynylurea
CID 78969978
3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea
CID 94777007
3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea
CID 17180082
ethyl 2-[(4-fluorophenyl)carbamoyl-methylamino]acetate
CID 47981222
ethyl 2-[[4-(hydroxyiminomethyl)phenyl]carbamoyl-prop-2-enylamino]acetate
CID 88615020
methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate
CID 54998078
2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
CID 62813606
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate
CID 4187952
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]-ethylamino]acetate
CID 61021135

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate?
The IUPAC name of ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate (CID 54900426) is ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate?
The InChIKey is ZDMLTQSJBNPWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-3-16(9-12(17)19-4-2)13(18)15-11-7-5-10(14)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,15,18).
What are the key properties of ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate?
ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate has a molecular weight of 284.74 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate is sourced from PubChem (CID 54900426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).