6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate

C23H30NO2- — CID 23616922

IUPAC6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate
SMILESCCC(CC(=O)[O-])C(CC(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)/p-1
InChIKeyWFFGDYDMDTYBNG-UHFFFAOYSA-M
MW352.50 g/mol
LogP3.48
Rot. Bonds9

About 6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate

6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate (PubChem CID 23616922) has the molecular formula C23H30NO2- and a molecular weight of 352.50 g/mol. Its IUPAC name is 6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate.

Molecular Properties

Compound Name6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate
PubChem CID23616922
Molecular FormulaC23H30NO2-
Molecular Weight352.50 g/mol
Exact Mass352.23
IUPAC Name6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate
SMILESCCC(CC(=O)[O-])C(CC(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)/p-1
InChIKeyWFFGDYDMDTYBNG-UHFFFAOYSA-M
XLogP3.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid
CID 67318933
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
N,N,4-trimethyl-4-phenylpentan-2-amine
CID 142069190
propanoate;trimethyl(trityl)phosphanium
CID 18355979
(7S)-7-(dimethylamino)-5,5-diphenyloct-1-yn-4-one
CID 154665818
4-(dimethylamino)-2,2-diphenyl-N-propan-2-ylpentanamide;hydrochloride
CID 3032186
(E)-6-(dimethylamino)-3-ethyl-4,4-diphenylhept-2-enoic acid
CID 70524409

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate?
The IUPAC name of 6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate (CID 23616922) is 6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate.
What is the SMILES notation for 6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate?
The canonical SMILES for 6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate is CCC(CC(=O)[O-])C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate?
The InChIKey is WFFGDYDMDTYBNG-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate?
6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate has a molecular weight of 352.50 g/mol, XLogP of 3.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate is sourced from PubChem (CID 23616922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).