methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate

C14H16ClNO5 — CID 62952798

IUPACmethyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO5/c1-20-13(18)8-16(9-14(19)21-2)12(17)7-10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyBJIGVMIAKDWKNE-UHFFFAOYSA-N
MW313.74 g/mol
LogP1.06
Rot. Bonds6

About methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62952798) has the molecular formula C14H16ClNO5 and a molecular weight of 313.74 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62952798
Molecular FormulaC14H16ClNO5
Molecular Weight313.74 g/mol
Exact Mass313.07
IUPAC Namemethyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO5/c1-20-13(18)8-16(9-14(19)21-2)12(17)7-10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyBJIGVMIAKDWKNE-UHFFFAOYSA-N
XLogP1.06
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Related Compounds

N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide
CID 79016632
methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate
CID 61383483
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
CID 27682247
methyl 2-[(4-chlorophenyl)methyl-(4-iodobenzoyl)amino]acetate
CID 52655224
methyl 2-[(4-chlorophenyl)methyl-(3,5-difluorobenzoyl)amino]acetate
CID 55802942
methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]-ethylamino]acetate
CID 61383632
methyl 3-(4-chlorophenyl)-2-oxopropanoate
CID 8008517
methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate
CID 43407385
[[2-(4-chlorophenyl)acetyl]-methylamino] acetate
CID 10847711
methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate
CID 110908434
2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381431
[2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 71820778

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate (CID 62952798) is methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is BJIGVMIAKDWKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO5/c1-20-13(18)8-16(9-14(19)21-2)12(17)7-10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3.
What are the key properties of methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 313.74 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62952798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).