(3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid

C23H31NO2 — CID 67318933

IUPAC(3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid
SMILESCCC(CC(=O)O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-5-19(16-22(25)26)23(17-18(2)24(3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,5,16-17H2,1-4H3,(H,25,26)/t18-,19?/m0/s1
InChIKeyWFFGDYDMDTYBNG-OYKVQYDMSA-N
MW353.51 g/mol
LogP4.81
Rot. Bonds9

About (3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid

(3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid (PubChem CID 67318933) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is (3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid.

Molecular Properties

Compound Name(3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid
PubChem CID67318933
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name(3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid
SMILESCCC(CC(=O)O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-5-19(16-22(25)26)23(17-18(2)24(3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,5,16-17H2,1-4H3,(H,25,26)/t18-,19?/m0/s1
InChIKeyWFFGDYDMDTYBNG-OYKVQYDMSA-N
XLogP4.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic 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

6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate
CID 23616922
2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one
CID 174656591
(3S,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride
CID 21127624
(4R)-4-(dimethylamino)-2,2-diphenylpentanamide
CID 51382597
6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-2-one
CID 54516525
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
4-(dimethylamino)-2,2-diphenyl-N-propan-2-ylpentanamide;hydrochloride
CID 3032186
N,N,4-trimethyl-4-phenylpentan-2-amine
CID 142069190
(7S)-7-(dimethylamino)-5,5-diphenyloct-1-yn-4-one
CID 154665818
(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid
CID 154665813
(E)-6-(dimethylamino)-3-ethyl-4,4-diphenylhept-2-enoic acid
CID 70524409

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid?
The IUPAC name of (3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid (CID 67318933) is (3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid.
What is the SMILES notation for (3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid?
The canonical SMILES for (3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid is CCC(CC(=O)O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid?
The InChIKey is WFFGDYDMDTYBNG-OYKVQYDMSA-N. The full InChI is InChI=1S/C23H31NO2/c1-5-19(16-22(25)26)23(17-18(2)24(3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,5,16-17H2,1-4H3,(H,25,26)/t18-,19?/m0/s1.
What are the key properties of (3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid?
(3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid has a molecular weight of 353.51 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid is sourced from PubChem (CID 67318933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).