methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate

C15H20N2O4 — CID 61030942

IUPACmethyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-11(18)16-13-6-4-12(5-7-13)10-14(19)17(2)9-8-15(20)21-3/h4-7H,8-10H2,1-3H3,(H,16,18)
InChIKeyQUQWNCDDYBCOKD-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.21
Rot. Bonds6

About methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate

methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate (PubChem CID 61030942) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate
PubChem CID61030942
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-11(18)16-13-6-4-12(5-7-13)10-14(19)17(2)9-8-15(20)21-3/h4-7H,8-10H2,1-3H3,(H,16,18)
InChIKeyQUQWNCDDYBCOKD-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 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate 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 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate
CID 39491135
methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
CID 54997473
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185
methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate
CID 61383483
2-(4-acetamidophenyl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 32754802
2-(4-acetamidophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 17485829
2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 32758175
2-(4-acetamidophenyl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27823052
methyl 3-[methyl-(2-pyridin-3-ylacetyl)amino]propanoate
CID 62691426
methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate
CID 56792823
2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 27827477
methyl 4-[(4-acetamidophenyl)methylamino]-4-oxobutanoate
CID 59342834

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate (CID 61030942) is methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate is COC(=O)CCN(C)C(=O)Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate?
The InChIKey is QUQWNCDDYBCOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(18)16-13-6-4-12(5-7-13)10-14(19)17(2)9-8-15(20)21-3/h4-7H,8-10H2,1-3H3,(H,16,18).
What are the key properties of methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate?
methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate 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 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate is sourced from PubChem (CID 61030942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).