[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone

C24H23NO — CID 67785165

IUPAC[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone
SMILESC=CCN(C)Cc1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO/c1-3-17-25(2)18-19-9-11-20(12-10-19)21-13-15-23(16-14-21)24(26)22-7-5-4-6-8-22/h3-16H,1,17-18H2,2H3
InChIKeyUJNGIXKARARJGM-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.20
Rot. Bonds7

About [4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone

[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone (PubChem CID 67785165) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is [4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone
PubChem CID67785165
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone
SMILESC=CCN(C)Cc1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO/c1-3-17-25(2)18-19-9-11-20(12-10-19)21-13-15-23(16-14-21)24(26)22-7-5-4-6-8-22/h3-16H,1,17-18H2,2H3
InChIKeyUJNGIXKARARJGM-UHFFFAOYSA-N
XLogP5.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone
CID 54007184
(4-bromophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride
CID 44570860
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093
[4-[(dimethylamino)methyl]phenyl]-phenylmethanone;prop-2-enoic acid;hydrochloride
CID 175497028
(2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride
CID 67784535
1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride
CID 67853322
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone
CID 10981049
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide
CID 45261576
phenyl-(4-phenylphenyl)methanone
CID 155775877
[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone
CID 19742105
(4-methylphenyl)-phenylmethanone;prop-2-enoic acid
CID 175172073

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone (CID 67785165) is [4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone is C=CCN(C)Cc1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone?
The InChIKey is UJNGIXKARARJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-3-17-25(2)18-19-9-11-20(12-10-19)21-13-15-23(16-14-21)24(26)22-7-5-4-6-8-22/h3-16H,1,17-18H2,2H3.
What are the key properties of [4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone?
[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone has a molecular weight of 341.45 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 67785165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).