ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate

C13H17ClN2O3 — CID 47103192

IUPACethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-3-19-12(17)8-15-13(18)16(2)9-10-6-4-5-7-11(10)14/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyZYPRAXSSIMEAEO-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.04
Rot. Bonds5

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

ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate (PubChem CID 47103192) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate
PubChem CID47103192
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Nameethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-3-19-12(17)8-15-13(18)16(2)9-10-6-4-5-7-11(10)14/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyZYPRAXSSIMEAEO-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 61414920
ethyl 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]acetate
CID 47377436
3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 61414586
N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea
CID 27533879
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate
CID 42764486
ethyl 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]acetate
CID 47337990
ethyl 4-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]butanoate
CID 86908494
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate (CID 47103192) is ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate?
The InChIKey is ZYPRAXSSIMEAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-3-19-12(17)8-15-13(18)16(2)9-10-6-4-5-7-11(10)14/h4-7H,3,8-9H2,1-2H3,(H,15,18).
What are the key properties of ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate?
ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate has a molecular weight of 284.74 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate is sourced from PubChem (CID 47103192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).