3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one

C17H17NO — CID 737448

IUPAC3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO/c1-18(2)13-12-17(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyVOZCAYLHVNCRJS-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.61
Rot. Bonds4

About 3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one

3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 737448) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
PubChem CID737448
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO/c1-18(2)13-12-17(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyVOZCAYLHVNCRJS-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.61
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

(Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one
CID 10060825
3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 66935305
3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one
CID 714531
3-[3-(dimethylamino)prop-2-enoyl]-2-methyl-5-phenylbenzoic acid
CID 174577075
(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 19616589
(E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one
CID 71482427
N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]formamide
CID 173199056
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 7017237
(E)-3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 19807213
(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346527
(E)-1-(3,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 63706116

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one (CID 737448) is 3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one is CN(C)C=CC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is VOZCAYLHVNCRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-18(2)13-12-17(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one?
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 251.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 737448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).