[6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate

C22H29NO2 — CID 547389

IUPAC[6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate
SMILESCCC(OC(C)=O)C(CCN(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-5-21(25-18(2)24)22(16-17-23(3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21H,5,16-17H2,1-4H3
InChIKeyYGUCXYYVJPJNSC-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.27
Rot. Bonds8

About [6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate

[6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate (PubChem CID 547389) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is [6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate.

Molecular Properties

Compound Name[6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate
PubChem CID547389
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name[6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate
SMILESCCC(OC(C)=O)C(CCN(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-5-21(25-18(2)24)22(16-17-23(3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21H,5,16-17H2,1-4H3
InChIKeyYGUCXYYVJPJNSC-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-4-phenylhexan-3-yl) acetate
CID 175239854
[(3S,6S)-1,1,1-trideuterio-6-(methylamino)-4,4-diphenylheptan-3-yl] acetate
CID 71751166
3-methoxy-2-methyl-2-phenylpentanoic acid
CID 175507222
(3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate
CID 90300567
2-[2-(dimethylamino)ethylsulfanyl]-2-phenylpentanoate
CID 57359331
(1-hydroxy-2-methyl-2-phenylpropyl) acetate
CID 22355072
2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one
CID 174656591
[3-(dimethylamino)-1,1-diphenylpropyl] formate
CID 54028396
1,1,1-triphenylbut-3-yn-2-yl acetate
CID 101488168
phenyl 4-(dimethylamino)-2,2-dimethylbutanoate
CID 174861843
2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one
CID 10266085

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate?
The IUPAC name of [6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate (CID 547389) is [6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate.
What is the SMILES notation for [6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate?
The canonical SMILES for [6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate is CCC(OC(C)=O)C(CCN(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate?
The InChIKey is YGUCXYYVJPJNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-21(25-18(2)24)22(16-17-23(3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21H,5,16-17H2,1-4H3.
What are the key properties of [6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate?
[6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate has a molecular weight of 339.48 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-4,4-diphenylhexan-3-yl] acetate is sourced from PubChem (CID 547389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).