(E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one

C18H19NO — CID 139069258

IUPAC(E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one
SMILESC/C(=C\NCCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO/c1-15(18(20)17-10-6-3-7-11-17)14-19-13-12-16-8-4-2-5-9-16/h2-11,14,19H,12-13H2,1H3/b15-14+
InChIKeyMMOULXJUVWBDTP-CCEZHUSRSA-N
MW265.36 g/mol
LogP3.61
Rot. Bonds6

About (E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one

(E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one (PubChem CID 139069258) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one
PubChem CID139069258
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one
SMILESC/C(=C\NCCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO/c1-15(18(20)17-10-6-3-7-11-17)14-19-13-12-16-8-4-2-5-9-16/h2-11,14,19H,12-13H2,1H3/b15-14+
InChIKeyMMOULXJUVWBDTP-CCEZHUSRSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one?
The IUPAC name of (E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one (CID 139069258) is (E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one.
What is the SMILES notation for (E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one?
The canonical SMILES for (E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one is C/C(=C\NCCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one?
The InChIKey is MMOULXJUVWBDTP-CCEZHUSRSA-N. The full InChI is InChI=1S/C18H19NO/c1-15(18(20)17-10-6-3-7-11-17)14-19-13-12-16-8-4-2-5-9-16/h2-11,14,19H,12-13H2,1H3/b15-14+.
What are the key properties of (E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one?
(E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one has a molecular weight of 265.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-phenyl-3-(2-phenylethylamino)prop-2-en-1-one is sourced from PubChem (CID 139069258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).