methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate

C16H23NO4 — CID 82348268

IUPACmethyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate
SMILESCOC(=O)CC(NC(C)C)C(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H23NO4/c1-10(2)17-13(9-15(18)21-5)16(19)12-6-7-14(20-4)11(3)8-12/h6-8,10,13,17H,9H2,1-5H3
InChIKeyFQGSSOXRUAODCH-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.12
Rot. Bonds7

About methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate

methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate (PubChem CID 82348268) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate
PubChem CID82348268
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate
SMILESCOC(=O)CC(NC(C)C)C(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H23NO4/c1-10(2)17-13(9-15(18)21-5)16(19)12-6-7-14(20-4)11(3)8-12/h6-8,10,13,17H,9H2,1-5H3
InChIKeyFQGSSOXRUAODCH-UHFFFAOYSA-N
XLogP2.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate with MolForge

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Related Compounds

methyl 3-amino-4-(4-methoxy-3-methylphenyl)-4-oxobutanoate
CID 82348273
methyl 4-(3,4-dimethylphenyl)-3-(2-hydroxyethylamino)-4-oxobutanoate
CID 82347613
methyl 3-(cyclopropylamino)-4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 82347625
methyl 3-(butan-2-ylamino)-4-(4-fluoro-3-methylphenyl)-4-oxobutanoate
CID 82348976
methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one
CID 82100693
3-(cyclopropylamino)-4-(4-methoxy-3-methylphenyl)-4-oxobutanoic acid
CID 82322506
2-bromo-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-one
CID 82254707
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one
CID 82100699
methyl 4-(4-fluoro-3-methylphenyl)-3-(methylamino)-4-oxobutanoate
CID 82348988
3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one
CID 103309388

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate (CID 82348268) is methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate is COC(=O)CC(NC(C)C)C(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate?
The InChIKey is FQGSSOXRUAODCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10(2)17-13(9-15(18)21-5)16(19)12-6-7-14(20-4)11(3)8-12/h6-8,10,13,17H,9H2,1-5H3.
What are the key properties of methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate?
methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate has a molecular weight of 293.36 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate is sourced from PubChem (CID 82348268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).