methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate

C15H21NO3 — CID 54943241

IUPACmethyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1cccc(C)c1C
InChIInChI=1S/C15H21NO3/c1-11-7-5-8-13(12(11)2)15(18)16(3)10-6-9-14(17)19-4/h5,7-8H,6,9-10H2,1-4H3
InChIKeyUDMLTXBDRINBCJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.33
Rot. Bonds5

About methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate

methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate (PubChem CID 54943241) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate
PubChem CID54943241
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1cccc(C)c1C
InChIInChI=1S/C15H21NO3/c1-11-7-5-8-13(12(11)2)15(18)16(3)10-6-9-14(17)19-4/h5,7-8H,6,9-10H2,1-4H3
InChIKeyUDMLTXBDRINBCJ-UHFFFAOYSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate 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 3-[(3-amino-2-methylbenzoyl)-methylamino]propanoate
CID 54997083
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
methyl 4-[methyl-[2-(2-methylphenyl)acetyl]amino]butanoate
CID 54943470
methyl 4-[(4-chloro-2-methylbenzoyl)-methylamino]butanoate
CID 103777319
methyl 4-[methyl-(2-methyl-5-methylsulfanylbenzoyl)amino]butanoate
CID 60724326
methyl 4-[methyl-(2-methyl-6-nitrobenzoyl)amino]butanoate
CID 60714670
methyl 4-[1H-indazole-7-carbonyl(methyl)amino]butanoate
CID 39491409
methyl 4-[(5-amino-2,4-dimethylbenzoyl)-methylamino]butanoate
CID 102705214
N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 75396730
methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate
CID 60714423
methyl 4-[(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-methylamino]butanoate
CID 51112265
4-[(2-iodo-3-methylbenzoyl)-methylamino]butanoic acid
CID 103790174

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate?
The IUPAC name of methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate (CID 54943241) is methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate?
The canonical SMILES for methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate is COC(=O)CCCN(C)C(=O)c1cccc(C)c1C.
What is the InChIKey of methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate?
The InChIKey is UDMLTXBDRINBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-7-5-8-13(12(11)2)15(18)16(3)10-6-9-14(17)19-4/h5,7-8H,6,9-10H2,1-4H3.
What are the key properties of methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate?
methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate has a molecular weight of 263.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate is sourced from PubChem (CID 54943241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).