ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate

C13H16ClNO3 — CID 60615788

IUPACethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-3-18-13(17)9-15(2)12(16)8-10-5-4-6-11(14)7-10/h4-7H,3,8-9H2,1-2H3
InChIKeyOCBVSJUBEGMQRC-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.90
Rot. Bonds5

About ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate

ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate (PubChem CID 60615788) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate
PubChem CID60615788
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Nameethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-3-18-13(17)9-15(2)12(16)8-10-5-4-6-11(14)7-10/h4-7H,3,8-9H2,1-2H3
InChIKeyOCBVSJUBEGMQRC-UHFFFAOYSA-N
XLogP1.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[methyl-(2-phenylacetyl)amino]acetate
CID 10489936
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
ethyl 4-[(3-chlorophenyl)methyl-methylamino]-3-oxobutanoate
CID 63898323
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
ethyl 3-[(3-chlorophenyl)methylamino]-3-oxopropanoate
CID 154305485
2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63224955
ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate
CID 54984127
ethyl 4-(3-chlorophenyl)-2,2-difluoro-3-oxobutanoate
CID 55071448
2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64510602
N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide
CID 80672572
N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide
CID 91452440
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate (CID 60615788) is ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate is CCOC(=O)CN(C)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate?
The InChIKey is OCBVSJUBEGMQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-3-18-13(17)9-15(2)12(16)8-10-5-4-6-11(14)7-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate?
ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate has a molecular weight of 269.73 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate is sourced from PubChem (CID 60615788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).