3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane

C21H29NO — CID 90689450

IUPAC3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
SMILESCC.CC.CN(C)C=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO.2C2H6/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;2*1-2/h3-13H,1-2H3;2*1-2H3
InChIKeyCNGFFWNMDLOHMH-UHFFFAOYSA-N
MW311.47 g/mol
LogP5.52
Rot. Bonds4

About 3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane

3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane (PubChem CID 90689450) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane.

Molecular Properties

Compound Name3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
PubChem CID90689450
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
SMILESCC.CC.CN(C)C=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO.2C2H6/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;2*1-2/h3-13H,1-2H3;2*1-2H3
InChIKeyCNGFFWNMDLOHMH-UHFFFAOYSA-N
XLogP5.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 15729872
3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one
CID 57169439
(E)-4-(dimethylamino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 132542566
1-(dimethylamino)-2-phenylhex-1-en-3-one
CID 67384334
ethyl 3-(dimethylamino)-2-phenylprop-2-enoate
CID 57057517
(Z)-2-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one
CID 58772861
1-(4-chlorophenyl)-3-(dimethylamino)-2-pyridin-4-ylprop-2-en-1-one
CID 54077613
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-1,2-diphenylpent-2-en-1-one
CID 14568344
3-(dimethylamino)-2-phenyl-1-thiophen-2-ylprop-2-en-1-one;2-phenyl-1-thiophen-2-ylethanone
CID 159526909
(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
CID 5369696
(E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide
CID 87529383

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane?
The IUPAC name of 3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane (CID 90689450) is 3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane.
What is the SMILES notation for 3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane?
The canonical SMILES for 3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane is CC.CC.CN(C)C=C(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane?
The InChIKey is CNGFFWNMDLOHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.2C2H6/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;2*1-2/h3-13H,1-2H3;2*1-2H3.
What are the key properties of 3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane?
3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane has a molecular weight of 311.47 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane is sourced from PubChem (CID 90689450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).