(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one

C17H17NO — CID 5356057

IUPAC(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
SMILESCN(C)c1ccc(C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H17NO/c1-18(2)16-11-9-15(10-12-16)17(19)13-8-14-6-4-3-5-7-14/h3-13H,1-2H3/b13-8+
InChIKeySYXGMWCLRWOVJB-MDWZMJQESA-N
MW251.33 g/mol
LogP3.65
Rot. Bonds4

About (E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one

(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one (PubChem CID 5356057) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
PubChem CID5356057
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
SMILESCN(C)c1ccc(C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H17NO/c1-18(2)16-11-9-15(10-12-16)17(19)13-8-14-6-4-3-5-7-14/h3-13H,1-2H3/b13-8+
InChIKeySYXGMWCLRWOVJB-MDWZMJQESA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(dimethylamino)phenyl]-1-phenylprop-2-en-1-one;3-(3-methylphenyl)-1-phenylprop-2-en-1-one
CID 67867669
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 54081222
1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 54137742
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-(4-bromophenyl)-1-[4-(N-methylanilino)phenyl]prop-2-en-1-one
CID 7125888
3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 2880876
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
CID 6156309
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one (CID 5356057) is (E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one is CN(C)c1ccc(C(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
The InChIKey is SYXGMWCLRWOVJB-MDWZMJQESA-N. The full InChI is InChI=1S/C17H17NO/c1-18(2)16-11-9-15(10-12-16)17(19)13-8-14-6-4-3-5-7-14/h3-13H,1-2H3/b13-8+.
What are the key properties of (E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one has a molecular weight of 251.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 5356057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).