6-(dimethylamino)-2-oxo-4-phenylhexanoic acid

C14H19NO3 — CID 57180909

IUPAC6-(dimethylamino)-2-oxo-4-phenylhexanoic acid
SMILESCN(C)CCC(CC(=O)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-15(2)9-8-12(10-13(16)14(17)18)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,17,18)
InChIKeySSWLMBCLDPGWLN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.77
Rot. Bonds7

About 6-(dimethylamino)-2-oxo-4-phenylhexanoic acid

6-(dimethylamino)-2-oxo-4-phenylhexanoic acid (PubChem CID 57180909) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-(dimethylamino)-2-oxo-4-phenylhexanoic acid.

Molecular Properties

Compound Name6-(dimethylamino)-2-oxo-4-phenylhexanoic acid
PubChem CID57180909
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name6-(dimethylamino)-2-oxo-4-phenylhexanoic acid
SMILESCN(C)CCC(CC(=O)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-15(2)9-8-12(10-13(16)14(17)18)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,17,18)
InChIKeySSWLMBCLDPGWLN-UHFFFAOYSA-N
XLogP1.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-(dimethylamino)-2-oxo-4-phenylhexanoic 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

N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride
CID 24838712
N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride
CID 3046459
bis(2-(dimethylamino)ethyl-triphenylphosphanium) diacetate
CID 173362420
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide
CID 70437831
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
N,N-dimethyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine;oxalic acid
CID 12807425
ethyl 2-[4-(dimethylamino)-2-phenylbutyl]-4-fluorobenzoate
CID 54118001
oxalic acid;1-phenylpropylbenzene
CID 67824543
N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid
CID 159974476
3-phenylheptanamide
CID 91447364
5-methoxy-N,N-dimethyl-4-phenylpentan-1-amine
CID 171986460

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-oxo-4-phenylhexanoic acid?
The IUPAC name of 6-(dimethylamino)-2-oxo-4-phenylhexanoic acid (CID 57180909) is 6-(dimethylamino)-2-oxo-4-phenylhexanoic acid.
What is the SMILES notation for 6-(dimethylamino)-2-oxo-4-phenylhexanoic acid?
The canonical SMILES for 6-(dimethylamino)-2-oxo-4-phenylhexanoic acid is CN(C)CCC(CC(=O)C(=O)O)c1ccccc1.
What is the InChIKey of 6-(dimethylamino)-2-oxo-4-phenylhexanoic acid?
The InChIKey is SSWLMBCLDPGWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(2)9-8-12(10-13(16)14(17)18)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,17,18).
What are the key properties of 6-(dimethylamino)-2-oxo-4-phenylhexanoic acid?
6-(dimethylamino)-2-oxo-4-phenylhexanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-oxo-4-phenylhexanoic acid is sourced from PubChem (CID 57180909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).