(E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one

C19H21NO — CID 11414802

IUPAC(E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one
SMILESCCCN/C(=C/C(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21NO/c1-2-13-20-18(14-16-9-5-3-6-10-16)15-19(21)17-11-7-4-8-12-17/h3-12,15,20H,2,13-14H2,1H3/b18-15+
InChIKeyCJVRPQSCAXYDQE-OBGWFSINSA-N
MW279.38 g/mol
LogP4.00
Rot. Bonds7

About (E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one

(E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one (PubChem CID 11414802) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one.

Molecular Properties

Compound Name(E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one
PubChem CID11414802
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one
SMILESCCCN/C(=C/C(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21NO/c1-2-13-20-18(14-16-9-5-3-6-10-16)15-19(21)17-11-7-4-8-12-17/h3-12,15,20H,2,13-14H2,1H3/b18-15+
InChIKeyCJVRPQSCAXYDQE-OBGWFSINSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one
CID 177397083
3-(4-methylanilino)-1,4-diphenylbut-2-en-1-one
CID 4311429
(Z)-3-(butylamino)-6-hydroxy-1-phenylhept-2-en-1-one
CID 10446105
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
2-oxo-3-phenyl-N-propylpropanamide
CID 68696691
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
3-(octylamino)-1-phenylbut-2-en-1-one
CID 68524139
4-phenyl-N-propylbut-2-enamide
CID 154634438
(E)-but-2-enedioic acid;N-propylbenzamide
CID 69498373
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
N'-benzyl-N-propylpropanediamide
CID 108940601

Frequently Asked Questions

What is the IUPAC name of (E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one?
The IUPAC name of (E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one (CID 11414802) is (E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one.
What is the SMILES notation for (E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one?
The canonical SMILES for (E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one is CCCN/C(=C/C(=O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one?
The InChIKey is CJVRPQSCAXYDQE-OBGWFSINSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-13-20-18(14-16-9-5-3-6-10-16)15-19(21)17-11-7-4-8-12-17/h3-12,15,20H,2,13-14H2,1H3/b18-15+.
What are the key properties of (E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one?
(E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one has a molecular weight of 279.38 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one is sourced from PubChem (CID 11414802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).