4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

C16H24N2O3 — CID 43616937

IUPAC4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)Nc1ccc(N(C)C)cc1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-11(2)16(3,15(20)21)10-14(19)17-12-6-8-13(9-7-12)18(4)5/h6-9,11H,10H2,1-5H3,(H,17,19)(H,20,21)
InChIKeyBEEMBAVFMCFIIE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.83
Rot. Bonds6

About 4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 43616937) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID43616937
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)Nc1ccc(N(C)C)cc1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-11(2)16(3,15(20)21)10-14(19)17-12-6-8-13(9-7-12)18(4)5/h6-9,11H,10H2,1-5H3,(H,17,19)(H,20,21)
InChIKeyBEEMBAVFMCFIIE-UHFFFAOYSA-N
XLogP2.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid 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-[(3-carboxy-3,4-dimethylpentanoyl)amino]benzoic acid
CID 60941573
4-(4-fluoroanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43397089
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391
N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide
CID 86901166
2-methyl-4-oxo-2-propan-2-yl-4-(pyrimidin-5-ylamino)butanoic acid
CID 107587532
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606
N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605077
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
4-(2,6-dichloroanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 65467753
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
(2S)-2-[[4-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 78967872

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (CID 43616937) is 4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is CC(C)C(C)(CC(=O)Nc1ccc(N(C)C)cc1)C(=O)O.
What is the InChIKey of 4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is BEEMBAVFMCFIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)16(3,15(20)21)10-14(19)17-12-6-8-13(9-7-12)18(4)5/h6-9,11H,10H2,1-5H3,(H,17,19)(H,20,21).
What are the key properties of 4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 43616937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).