(E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one

C21H21NO — CID 70278104

IUPAC(E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one
SMILESC=CCN(CC=C)c1ccccc1/C=C/C(=O)c1ccccc1
InChIInChI=1S/C21H21NO/c1-3-16-22(17-4-2)20-13-9-8-10-18(20)14-15-21(23)19-11-6-5-7-12-19/h3-15H,1-2,16-17H2/b15-14+
InChIKeyKEGLEIXLRQPZNM-CCEZHUSRSA-N
MW303.40 g/mol
LogP4.76
Rot. Bonds8

About (E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one

(E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one (PubChem CID 70278104) has the molecular formula C21H21NO and a molecular weight of 303.40 g/mol. Its IUPAC name is (E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one
PubChem CID70278104
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC Name(E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one
SMILESC=CCN(CC=C)c1ccccc1/C=C/C(=O)c1ccccc1
InChIInChI=1S/C21H21NO/c1-3-16-22(17-4-2)20-13-9-8-10-18(20)14-15-21(23)19-11-6-5-7-12-19/h3-15H,1-2,16-17H2/b15-14+
InChIKeyKEGLEIXLRQPZNM-CCEZHUSRSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
CID 69039311
3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one
CID 174792715
(2E)-1-phenylhepta-2,6-dien-1-one
CID 12950359
(E)-1-phenyl-3-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
CID 146448432
1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one
CID 175171565
(E)-3-[2-(dimethylamino)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6058579
3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one
CID 174912538
3-[2-[ethyl(2-ethylbutyl)amino]phenyl]prop-2-enoic acid
CID 76999947
3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5175101
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
(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)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one (CID 70278104) is (E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one is C=CCN(CC=C)c1ccccc1/C=C/C(=O)c1ccccc1.
What is the InChIKey of (E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one?
The InChIKey is KEGLEIXLRQPZNM-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H21NO/c1-3-16-22(17-4-2)20-13-9-8-10-18(20)14-15-21(23)19-11-6-5-7-12-19/h3-15H,1-2,16-17H2/b15-14+.
What are the key properties of (E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one?
(E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one has a molecular weight of 303.40 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 70278104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).