methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate

C16H23NO4 — CID 60714452

IUPACmethyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)CCc1ccccc1OC
InChIInChI=1S/C16H23NO4/c1-17(12-6-9-16(19)21-3)15(18)11-10-13-7-4-5-8-14(13)20-2/h4-5,7-8H,6,9-12H2,1-3H3
InChIKeyQAWXSJMCYVULIO-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.04
Rot. Bonds8

About methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate

methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate (PubChem CID 60714452) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate
PubChem CID60714452
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)CCc1ccccc1OC
InChIInChI=1S/C16H23NO4/c1-17(12-6-9-16(19)21-3)15(18)11-10-13-7-4-5-8-14(13)20-2/h4-5,7-8H,6,9-12H2,1-3H3
InChIKeyQAWXSJMCYVULIO-UHFFFAOYSA-N
XLogP2.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[methyl-[2-(2-methylphenyl)acetyl]amino]butanoate
CID 54943470
3-(2-methoxyphenyl)-N-methyl-N-(2-piperidin-1-ylethyl)propanamide
CID 110753414
3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide
CID 55960147
3-(2-methoxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64512422
methyl 4-[methyl-[2-(2-nitrophenyl)acetyl]amino]butanoate
CID 60714518
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
3-(2-methoxyphenyl)-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 99790252
methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
CID 55005922
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94870765
methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate
CID 43409761
3-[methyl-[3-[2-(trifluoromethoxy)phenyl]propanoyl]amino]propanoic acid
CID 119233204
3-(2-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791757

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate?
The IUPAC name of methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate (CID 60714452) is methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate.
What is the SMILES notation for methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate?
The canonical SMILES for methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate is COC(=O)CCCN(C)C(=O)CCc1ccccc1OC.
What is the InChIKey of methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate?
The InChIKey is QAWXSJMCYVULIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-17(12-6-9-16(19)21-3)15(18)11-10-13-7-4-5-8-14(13)20-2/h4-5,7-8H,6,9-12H2,1-3H3.
What are the key properties of methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate?
methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate has a molecular weight of 293.36 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate is sourced from PubChem (CID 60714452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).