6-(diethylamino)-1,1-diphenylhex-4-yn-2-one

C22H25NO — CID 57339628

IUPAC6-(diethylamino)-1,1-diphenylhex-4-yn-2-one
SMILESCCN(CC)CC#CCC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO/c1-3-23(4-2)18-12-11-17-21(24)22(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,22H,3-4,17-18H2,1-2H3
InChIKeyCHKZTUMZZKNFAZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.12
Rot. Bonds7

About 6-(diethylamino)-1,1-diphenylhex-4-yn-2-one

6-(diethylamino)-1,1-diphenylhex-4-yn-2-one (PubChem CID 57339628) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 6-(diethylamino)-1,1-diphenylhex-4-yn-2-one.

Molecular Properties

Compound Name6-(diethylamino)-1,1-diphenylhex-4-yn-2-one
PubChem CID57339628
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name6-(diethylamino)-1,1-diphenylhex-4-yn-2-one
SMILESCCN(CC)CC#CCC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO/c1-3-23(4-2)18-12-11-17-21(24)22(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,22H,3-4,17-18H2,1-2H3
InChIKeyCHKZTUMZZKNFAZ-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4,4-diphenylbut-2-yn-1-amine
CID 1415531
N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid
CID 2892779
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
1,1,5,5-tetraphenylpentane-2,4-dione
CID 22951899
1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone
CID 102350664
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
4-(diethylamino)but-2-ynyl 3-cyclohexylidene-2-phenylpropanoate
CID 170568283
4-(diethylamino)but-2-ynyl 3-cyclohexylidene-2-phenylpropanoate;methanol
CID 170568282
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol
CID 102551639
N-[3-(diethylamino)propyl]-2,2-diphenyl-N-propan-2-ylacetamide
CID 3026496
3-methoxy-1,1-diphenylpropan-2-one
CID 19419205

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-1,1-diphenylhex-4-yn-2-one?
The IUPAC name of 6-(diethylamino)-1,1-diphenylhex-4-yn-2-one (CID 57339628) is 6-(diethylamino)-1,1-diphenylhex-4-yn-2-one.
What is the SMILES notation for 6-(diethylamino)-1,1-diphenylhex-4-yn-2-one?
The canonical SMILES for 6-(diethylamino)-1,1-diphenylhex-4-yn-2-one is CCN(CC)CC#CCC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(diethylamino)-1,1-diphenylhex-4-yn-2-one?
The InChIKey is CHKZTUMZZKNFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-3-23(4-2)18-12-11-17-21(24)22(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,22H,3-4,17-18H2,1-2H3.
What are the key properties of 6-(diethylamino)-1,1-diphenylhex-4-yn-2-one?
6-(diethylamino)-1,1-diphenylhex-4-yn-2-one has a molecular weight of 319.45 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-1,1-diphenylhex-4-yn-2-one is sourced from PubChem (CID 57339628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).