4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid

C18H19NO3 — CID 101017152

IUPAC4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid
SMILESCN(C)C(=O)C(CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-19(2)17(22)18(13-16(20)21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyKLQCUQIKQSQPFB-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.54
Rot. Bonds5

About 4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid

4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid (PubChem CID 101017152) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid
PubChem CID101017152
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid
SMILESCN(C)C(=O)C(CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-19(2)17(22)18(13-16(20)21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyKLQCUQIKQSQPFB-UHFFFAOYSA-N
XLogP2.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic 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-[bis(2-chloroethyl)amino]-N,N-dimethyl-2,2-diphenylbutanamide
CID 11524308
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide
CID 3030672
2,2-dicyano-N,N-dimethyl-2-phenylacetamide
CID 19919955
2-(3-fluorophenyl)-2-phenylbutanedioic acid
CID 152760459
4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
CID 91356446
N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane
CID 142899302
N,N-dimethyl-4-(2-methylpiperidin-1-yl)-2,2-diphenylbutanamide
CID 57291620
3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide
CID 102147657
2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid
CID 63645589
3,3,5-trimethyl-5-phenylhexanoic acid
CID 167163397
2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride
CID 115618466

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid?
The IUPAC name of 4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid (CID 101017152) is 4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid.
What is the SMILES notation for 4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid?
The canonical SMILES for 4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid is CN(C)C(=O)C(CC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid?
The InChIKey is KLQCUQIKQSQPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-19(2)17(22)18(13-16(20)21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,21).
What are the key properties of 4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid?
4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid has a molecular weight of 297.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid is sourced from PubChem (CID 101017152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).