methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate

C16H22N2O4 — CID 39491135

IUPACmethyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H22N2O4/c1-12(19)17-14-8-6-13(7-9-14)11-15(20)18(2)10-4-5-16(21)22-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyWSYOMPRFADRBBL-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.60
Rot. Bonds7

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

methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate (PubChem CID 39491135) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate
PubChem CID39491135
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H22N2O4/c1-12(19)17-14-8-6-13(7-9-14)11-15(20)18(2)10-4-5-16(21)22-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyWSYOMPRFADRBBL-UHFFFAOYSA-N
XLogP1.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate
CID 61030942
methyl 4-[methyl-[2-(2-methylphenyl)acetyl]amino]butanoate
CID 54943470
methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate
CID 61383483
2-(4-acetamidophenyl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 32754802
methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
CID 54997473
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-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate
CID 56792823
methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate
CID 79003930
methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
CID 55005922
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate (CID 39491135) is methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate is COC(=O)CCCN(C)C(=O)Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate?
The InChIKey is WSYOMPRFADRBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(19)17-14-8-6-13(7-9-14)11-15(20)18(2)10-4-5-16(21)22-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate?
methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate has a molecular weight of 306.36 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate is sourced from PubChem (CID 39491135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).