methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate

C15H20N2O4 — CID 61383483

IUPACmethyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-4-17(10-15(20)21-3)14(19)9-12-5-7-13(8-6-12)16-11(2)18/h5-8H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyQZYZSJFWLVYXQJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.21
Rot. Bonds6

About methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate

methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate (PubChem CID 61383483) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate
PubChem CID61383483
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-4-17(10-15(20)21-3)14(19)9-12-5-7-13(8-6-12)16-11(2)18/h5-8H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyQZYZSJFWLVYXQJ-UHFFFAOYSA-N
XLogP1.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]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 2-[[2-(3,4-dimethoxyphenyl)acetyl]-ethylamino]acetate
CID 61383632
methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate
CID 61030942
methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952798
methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate
CID 39491135
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide
CID 86871795
N-[4-(2-methylprop-2-enyl)phenyl]acetamide
CID 89105480
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283612
tert-butyl N-[4-[2-[cyanomethyl(ethyl)amino]-2-oxoethyl]phenyl]carbamate
CID 86859446
2-(4-acetamidophenyl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 32754802
2-(4-acetamidophenyl)-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 86927157
hexakis(methyl 2-phenylacetate);hexakis(N-phenylacetamide)
CID 174503010
2-(4-acetamidophenyl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27823052

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate?
The IUPAC name of methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate (CID 61383483) is methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate?
The canonical SMILES for methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate is CCN(CC(=O)OC)C(=O)Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate?
The InChIKey is QZYZSJFWLVYXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-17(10-15(20)21-3)14(19)9-12-5-7-13(8-6-12)16-11(2)18/h5-8H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate?
methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate has a molecular weight of 292.34 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate is sourced from PubChem (CID 61383483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).