ethyl 2-[benzylcarbamoyl(methyl)amino]acetate

C13H18N2O3 — CID 10243836

IUPACethyl 2-[benzylcarbamoyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-18-12(16)10-15(2)13(17)14-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,17)
InChIKeyDGZGLUBXMBOOCY-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.39
Rot. Bonds5

About ethyl 2-[benzylcarbamoyl(methyl)amino]acetate

ethyl 2-[benzylcarbamoyl(methyl)amino]acetate (PubChem CID 10243836) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-[benzylcarbamoyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzylcarbamoyl(methyl)amino]acetate
PubChem CID10243836
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-[benzylcarbamoyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-18-12(16)10-15(2)13(17)14-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,17)
InChIKeyDGZGLUBXMBOOCY-UHFFFAOYSA-N
XLogP1.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[methyl-(2-phenylacetyl)amino]acetate
CID 10489936
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea
CID 10781532
benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[methyl(propylcarbamoyl)amino]acetate
CID 10241951
ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate
CID 57428113
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843
4-[[[(4-ethoxy-4-oxobutan-2-yl)-methylcarbamoyl]amino]methyl]benzoic acid
CID 122020841
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzylcarbamoyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[benzylcarbamoyl(methyl)amino]acetate (CID 10243836) is ethyl 2-[benzylcarbamoyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzylcarbamoyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzylcarbamoyl(methyl)amino]acetate is CCOC(=O)CN(C)C(=O)NCc1ccccc1.
What is the InChIKey of ethyl 2-[benzylcarbamoyl(methyl)amino]acetate?
The InChIKey is DGZGLUBXMBOOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-18-12(16)10-15(2)13(17)14-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,17).
What are the key properties of ethyl 2-[benzylcarbamoyl(methyl)amino]acetate?
ethyl 2-[benzylcarbamoyl(methyl)amino]acetate has a molecular weight of 250.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzylcarbamoyl(methyl)amino]acetate is sourced from PubChem (CID 10243836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).