3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one

C19H21NO — CID 57169439

IUPAC3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)C(=CN(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO/c1-14-5-9-16(10-6-14)18(13-20(3)4)19(21)17-11-7-15(2)8-12-17/h5-13H,1-4H3
InChIKeyRGSPSKCXQAEIKP-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.09
Rot. Bonds4

About 3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one

3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one (PubChem CID 57169439) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one
PubChem CID57169439
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)C(=CN(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO/c1-14-5-9-16(10-6-14)18(13-20(3)4)19(21)17-11-7-15(2)8-12-17/h5-13H,1-4H3
InChIKeyRGSPSKCXQAEIKP-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.09
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-methylphenyl)prop-2-enoic acid
CID 166747684
3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
CID 90689450
(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
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 15729872
(Z)-3-(dimethylamino)-1-(4-methylphenyl)-2-(4-methylphenyl)sulfanylprop-2-en-1-one
CID 6287102
(E)-2-[4-(4-anilinophenyl)phenyl]-3-(dimethylamino)-1-(2,4-dimethylphenyl)prop-2-en-1-one
CID 134200103
(Z)-1-(4-chlorophenyl)-2-(2-chloropyrimidin-4-yl)-3-(dimethylamino)prop-2-en-1-one
CID 58641661
ethyl (E)-4-(dimethylamino)-3-(4-methylbenzoyl)-2-oxobut-3-enoate
CID 135077752
(Z)-N',N'-dimethyl-1-(4-methylphenyl)ethene-1,2-diamine
CID 149258743
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 67019924
(Z)-3-(dimethylamino)-2-[1-(4-methylphenyl)tetrazol-5-yl]-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6075100

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one (CID 57169439) is 3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one is Cc1ccc(C(=O)C(=CN(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one?
The InChIKey is RGSPSKCXQAEIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-14-5-9-16(10-6-14)18(13-20(3)4)19(21)17-11-7-15(2)8-12-17/h5-13H,1-4H3.
What are the key properties of 3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one?
3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one has a molecular weight of 279.38 g/mol, XLogP of 4.09, 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-bis(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 57169439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).