(4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid

C23H29NO3 — CID 164732652

IUPAC(4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid
SMILESCCC(=O)C(C[C@@H](CCC(=O)O)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-4-21(25)23(18-11-7-5-8-12-18,19-13-9-6-10-14-19)17-20(24(2)3)15-16-22(26)27/h5-14,20H,4,15-17H2,1-3H3,(H,26,27)/t20-/m1/s1
InChIKeyCNHYBWBPLIKCCV-HXUWFJFHSA-N
MW367.49 g/mol
LogP4.14
Rot. Bonds10

About (4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid

(4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid (PubChem CID 164732652) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid.

Molecular Properties

Compound Name(4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid
PubChem CID164732652
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid
SMILESCCC(=O)C(C[C@@H](CCC(=O)O)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-4-21(25)23(18-11-7-5-8-12-18,19-13-9-6-10-14-19)17-20(24(2)3)15-16-22(26)27/h5-14,20H,4,15-17H2,1-3H3,(H,26,27)/t20-/m1/s1
InChIKeyCNHYBWBPLIKCCV-HXUWFJFHSA-N
XLogP4.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid
CID 154665813
6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
(6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one
CID 154665875
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
6-(dimethylamino)-4,4-diphenylheptan-3-one;2-methylprop-2-enoic acid;hydrochloride
CID 122684376
(6R)-6-(methylamino)-4,4-diphenylheptan-3-one
CID 131842164
(4R)-4-(dimethylamino)-2,2-diphenylpentanamide
CID 51382597
5-butan-2-yl-5-ethyl-1,3-diazinane-2,4,6-trione;6-(dimethylamino)-4,4-diphenylheptan-3-one
CID 70561400
N,N-dimethyl-5-oxo-4,4-diphenylheptan-2-amine oxide
CID 610077
(4S,6R)-6-(dimethylamino)-4-phenyl-4-(2,3,6-trifluorophenyl)heptan-3-one
CID 164732602
[(2S,3R)-2-hydroxy-6-oxo-5,5-diphenyloctan-3-yl]-dimethylazanium
CID 164732578

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid?
The IUPAC name of (4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid (CID 164732652) is (4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid.
What is the SMILES notation for (4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid?
The canonical SMILES for (4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid is CCC(=O)C(C[C@@H](CCC(=O)O)N(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid?
The InChIKey is CNHYBWBPLIKCCV-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29NO3/c1-4-21(25)23(18-11-7-5-8-12-18,19-13-9-6-10-14-19)17-20(24(2)3)15-16-22(26)27/h5-14,20H,4,15-17H2,1-3H3,(H,26,27)/t20-/m1/s1.
What are the key properties of (4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid?
(4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid has a molecular weight of 367.49 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid is sourced from PubChem (CID 164732652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).