methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

C14H18ClNO4 — CID 106869252

IUPACmethyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1ccc(C)cc1Cl
InChIInChI=1S/C14H18ClNO4/c1-10-4-5-11(12(15)6-10)7-16(8-13(17)19-2)9-14(18)20-3/h4-6H,7-9H2,1-3H3
InChIKeyKIQLBHVWHBCSHF-UHFFFAOYSA-N
MW299.75 g/mol
LogP1.80
Rot. Bonds6

About methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 106869252) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID106869252
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Namemethyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1ccc(C)cc1Cl
InChIInChI=1S/C14H18ClNO4/c1-10-4-5-11(12(15)6-10)7-16(8-13(17)19-2)9-14(18)20-3/h4-6H,7-9H2,1-3H3
InChIKeyKIQLBHVWHBCSHF-UHFFFAOYSA-N
XLogP1.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Related Compounds

methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate
CID 102662972
2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid
CID 107440608
methyl 2-[(2-chloro-4-methylbenzoyl)-methylamino]acetate
CID 106509702
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
methyl 2-[(4-chloro-2-fluorophenyl)methyl-ethylamino]acetate
CID 114857988
3-[(2-chloro-4-methylphenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 106865226
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate
CID 51091367
methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate
CID 106491024
methyl 3-[(4-bromo-2-chlorophenyl)methyl-methylamino]propanoate
CID 115605565
methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-4-chloro-5-methylphenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)-5-methylanilino]acetate
CID 42643577

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 106869252) is methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)Cc1ccc(C)cc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is KIQLBHVWHBCSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-10-4-5-11(12(15)6-10)7-16(8-13(17)19-2)9-14(18)20-3/h4-6H,7-9H2,1-3H3.
What are the key properties of methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 299.75 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 106869252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).