methyl 5-anilino-2,2-dimethyl-5-oxopentanoate

C14H19NO3 — CID 70281853

IUPACmethyl 5-anilino-2,2-dimethyl-5-oxopentanoate
SMILESCOC(=O)C(C)(C)CCC(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2,13(17)18-3)10-9-12(16)15-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,16)
InChIKeyYODVQXVQITUIOR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.60
Rot. Bonds5

About methyl 5-anilino-2,2-dimethyl-5-oxopentanoate

methyl 5-anilino-2,2-dimethyl-5-oxopentanoate (PubChem CID 70281853) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 5-anilino-2,2-dimethyl-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-anilino-2,2-dimethyl-5-oxopentanoate
PubChem CID70281853
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 5-anilino-2,2-dimethyl-5-oxopentanoate
SMILESCOC(=O)C(C)(C)CCC(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2,13(17)18-3)10-9-12(16)15-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,16)
InChIKeyYODVQXVQITUIOR-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-anilino-2,2-dimethyl-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

4-hydroxy-4-methyl-N-phenylpentanamide
CID 564630
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
3-fluoro-N-phenylpropanamide
CID 70366284
7,7-dimethyl-N-phenyloctanamide
CID 68837139
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
3,3-difluoro-N-phenylbutanamide
CID 131059355
4,4-dimethyl-6-oxo-N,7-diphenylheptanamide
CID 160928097
methyl 4-(4-anilinoanilino)-4-oxobutanoate
CID 730573
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
CID 91131464
CID 91131464
N-(2-anilino-2-oxoethyl)-4-methyl-4-phenylpentanamide
CID 110353745
methyl 2,2-dimethyl-4-oxo-4-phenylbutanoate
CID 18948507

Frequently Asked Questions

What is the IUPAC name of methyl 5-anilino-2,2-dimethyl-5-oxopentanoate?
The IUPAC name of methyl 5-anilino-2,2-dimethyl-5-oxopentanoate (CID 70281853) is methyl 5-anilino-2,2-dimethyl-5-oxopentanoate.
What is the SMILES notation for methyl 5-anilino-2,2-dimethyl-5-oxopentanoate?
The canonical SMILES for methyl 5-anilino-2,2-dimethyl-5-oxopentanoate is COC(=O)C(C)(C)CCC(=O)Nc1ccccc1.
What is the InChIKey of methyl 5-anilino-2,2-dimethyl-5-oxopentanoate?
The InChIKey is YODVQXVQITUIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,13(17)18-3)10-9-12(16)15-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,16).
What are the key properties of methyl 5-anilino-2,2-dimethyl-5-oxopentanoate?
methyl 5-anilino-2,2-dimethyl-5-oxopentanoate has a molecular weight of 249.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-anilino-2,2-dimethyl-5-oxopentanoate is sourced from PubChem (CID 70281853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).