methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate

C16H23NO4 — CID 82349209

IUPACmethyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate
SMILESCNC(CCC(=O)OC)C(=O)c1cc(C)cc(C)c1OC
InChIInChI=1S/C16H23NO4/c1-10-8-11(2)16(21-5)12(9-10)15(19)13(17-3)6-7-14(18)20-4/h8-9,13,17H,6-7H2,1-5H3
InChIKeyXAYZQSYZKIRSKM-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.04
Rot. Bonds7

About methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate

methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate (PubChem CID 82349209) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate
PubChem CID82349209
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate
SMILESCNC(CCC(=O)OC)C(=O)c1cc(C)cc(C)c1OC
InChIInChI=1S/C16H23NO4/c1-10-8-11(2)16(21-5)12(9-10)15(19)13(17-3)6-7-14(18)20-4/h8-9,13,17H,6-7H2,1-5H3
InChIKeyXAYZQSYZKIRSKM-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate 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-(methylamino)-5-oxo-5-(2,4,6-trimethylphenyl)pentanoate
CID 82348948
methyl 5-(2-methoxy-4,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate
CID 82350028
methyl 4-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate
CID 116940201
methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate
CID 82349449
1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923528
3-(2-hydroxyethylamino)-4-(2-methoxy-3,5-dimethylphenyl)-4-oxobutanoic acid
CID 82322782
2-bromo-2-chloro-1-(2-methoxy-3,5-dimethylphenyl)ethanone
CID 116863877
methyl 3-(methylamino)-4-oxo-4-(2,4,6-trimethylphenyl)butanoate
CID 82348920
methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate
CID 116955429
methyl 4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-oxopentanoate
CID 82349658
methyl 4-amino-4-(2,4,6-trimethylphenyl)butanoate
CID 60862319
methyl 2-(2-methoxy-3,5-dimethylanilino)acetate
CID 115232671

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate?
The IUPAC name of methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate (CID 82349209) is methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate.
What is the SMILES notation for methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate?
The canonical SMILES for methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate is CNC(CCC(=O)OC)C(=O)c1cc(C)cc(C)c1OC.
What is the InChIKey of methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate?
The InChIKey is XAYZQSYZKIRSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10-8-11(2)16(21-5)12(9-10)15(19)13(17-3)6-7-14(18)20-4/h8-9,13,17H,6-7H2,1-5H3.
What are the key properties of methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate?
methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate has a molecular weight of 293.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate is sourced from PubChem (CID 82349209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).