ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate

C14H19ClN2O3 — CID 47278093

IUPACethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-4-20-13(18)9-16-14(19)17(3)10(2)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,19)
InChIKeyBKPMMMXZBWPGNN-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.61
Rot. Bonds5

About ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate

ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate (PubChem CID 47278093) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate
PubChem CID47278093
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Nameethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-4-20-13(18)9-16-14(19)17(3)10(2)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,19)
InChIKeyBKPMMMXZBWPGNN-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 113221619
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
CID 43445755
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134003912
ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate
CID 54948885
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 51935182
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate
CID 108880029
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
CID 115618579
ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetate
CID 6087824
ethyl 3-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 72970811

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate (CID 47278093) is ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate?
The InChIKey is BKPMMMXZBWPGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-4-20-13(18)9-16-14(19)17(3)10(2)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,19).
What are the key properties of ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate?
ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate has a molecular weight of 298.77 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate is sourced from PubChem (CID 47278093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).