(Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one

C24H19NO — CID 146162492

IUPAC(Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one
SMILESO=C(/C=C(\NCC#Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO/c26-24(22-16-8-3-9-17-22)19-23(21-14-6-2-7-15-21)25-18-10-13-20-11-4-1-5-12-20/h1-9,11-12,14-17,19,25H,18H2/b23-19-
InChIKeyXEWDJCVNMGPRDM-NMWGTECJSA-N
MW337.42 g/mol
LogP4.55
Rot. Bonds5

About (Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one

(Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one (PubChem CID 146162492) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is (Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one
PubChem CID146162492
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC Name(Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one
SMILESO=C(/C=C(\NCC#Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO/c26-24(22-16-8-3-9-17-22)19-23(21-14-6-2-7-15-21)25-18-10-13-20-11-4-1-5-12-20/h1-9,11-12,14-17,19,25H,18H2/b23-19-
InChIKeyXEWDJCVNMGPRDM-NMWGTECJSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid
CID 102299581
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
(Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 54579039
4-[(Z)-3-[(4-aminophenyl)methylamino]-3-phenylprop-2-enoyl]benzonitrile
CID 155819053
(E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide
CID 24669101
3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide
CID 51332394
4-nitro-N-(3-phenylprop-2-ynyl)benzamide
CID 51325780
2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 51325787
4-(3-phenylprop-2-ynylamino)benzoic acid
CID 13017537
N-[3-(4-fluorophenyl)prop-2-ynyl]-4-oxo-4-phenylbutanamide
CID 90548026
(2S)-3-methyl-2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]butanoic acid
CID 102299586
(E)-3-anilino-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
CID 22305442

Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one?
The IUPAC name of (Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one (CID 146162492) is (Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one.
What is the SMILES notation for (Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one?
The canonical SMILES for (Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one is O=C(/C=C(\NCC#Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one?
The InChIKey is XEWDJCVNMGPRDM-NMWGTECJSA-N. The full InChI is InChI=1S/C24H19NO/c26-24(22-16-8-3-9-17-22)19-23(21-14-6-2-7-15-21)25-18-10-13-20-11-4-1-5-12-20/h1-9,11-12,14-17,19,25H,18H2/b23-19-.
What are the key properties of (Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one?
(Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one has a molecular weight of 337.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one is sourced from PubChem (CID 146162492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).