methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate

C14H18ClNO4 — CID 60713044

IUPACmethyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H18ClNO4/c1-16(9-14(18)20-3)13(17)7-5-10-4-6-12(19-2)11(15)8-10/h4,6,8H,5,7,9H2,1-3H3
InChIKeyWVZSQMRNEPVTPJ-UHFFFAOYSA-N
MW299.75 g/mol
LogP1.91
Rot. Bonds6

About methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate

methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate (PubChem CID 60713044) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate
PubChem CID60713044
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Namemethyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H18ClNO4/c1-16(9-14(18)20-3)13(17)7-5-10-4-6-12(19-2)11(15)8-10/h4,6,8H,5,7,9H2,1-3H3
InChIKeyWVZSQMRNEPVTPJ-UHFFFAOYSA-N
XLogP1.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-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

methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]propanoate
CID 61031323
methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate
CID 43409176
methyl 2-[3-(3,4-difluorophenyl)propanoyl-methylamino]acetate
CID 43431151
N-[(3,4-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 112792441
N-[(5-bromothiophen-2-yl)methyl]-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
CID 55512669
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194050
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate
CID 112729455
methyl 4-[[3-(3,4-dimethoxyphenyl)propanoyl-methylamino]methyl]benzoate
CID 37418458
4-(3-chloro-4-methoxyphenyl)butanehydrazide
CID 116843564
3-amino-1-[(3-chloro-4-methoxyphenyl)methyl]-1-methylurea
CID 115192735
4-[[3-(3,4-dimethoxyphenyl)propanoyl-methylamino]methyl]-N-methylbenzamide
CID 8965694

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate?
The IUPAC name of methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate (CID 60713044) is methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate?
The canonical SMILES for methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate is COC(=O)CN(C)C(=O)CCc1ccc(OC)c(Cl)c1.
What is the InChIKey of methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate?
The InChIKey is WVZSQMRNEPVTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-16(9-14(18)20-3)13(17)7-5-10-4-6-12(19-2)11(15)8-10/h4,6,8H,5,7,9H2,1-3H3.
What are the key properties of methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate?
methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate has a molecular weight of 299.75 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate is sourced from PubChem (CID 60713044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).