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

C14H18ClNO3 — CID 43409176

IUPACmethyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-10-4-5-11(8-12(10)15)6-7-13(17)16(2)9-14(18)19-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyVASBULIEMXJSMV-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.21
Rot. Bonds5

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

methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate (PubChem CID 43409176) has the molecular formula C14H18ClNO3 and a molecular weight of 283.76 g/mol. Its IUPAC name is methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate
PubChem CID43409176
Molecular FormulaC14H18ClNO3
Molecular Weight283.76 g/mol
Exact Mass283.10
IUPAC Namemethyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-10-4-5-11(8-12(10)15)6-7-13(17)16(2)9-14(18)19-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyVASBULIEMXJSMV-UHFFFAOYSA-N
XLogP2.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate
CID 60713044
methyl 2-[3-(3,4-difluorophenyl)propanoyl-methylamino]acetate
CID 43431151
3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide
CID 55027623
methyl 2-[(3-chloro-4-methylbenzoyl)-methylamino]acetate
CID 63194919
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]propanoate
CID 61031323
methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate
CID 112729455
2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 62818850
3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902357
2-[3-(3-chloro-4-methylphenyl)propanoyl-propylamino]acetic acid
CID 61007519
3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64512552
methyl 3-[(3-chloro-4-methylbenzoyl)-methylamino]propanoate
CID 63195175
3-(3,4-dichlorophenyl)-N-methoxy-N-methylpropanamide
CID 86728179

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate?
The IUPAC name of methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate (CID 43409176) is methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate?
The canonical SMILES for methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate is COC(=O)CN(C)C(=O)CCc1ccc(C)c(Cl)c1.
What is the InChIKey of methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate?
The InChIKey is VASBULIEMXJSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-4-5-11(8-12(10)15)6-7-13(17)16(2)9-14(18)19-3/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate?
methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate has a molecular weight of 283.76 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate is sourced from PubChem (CID 43409176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).