(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide

C23H24N2O2 — CID 155277984

IUPAC(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
SMILESCCCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)C=Cc1ccccc1
InChIInChI=1S/C23H24N2O2/c1-2-18-24-23(27)21(15-9-14-19-10-5-3-6-11-19)25-22(26)17-16-20-12-7-4-8-13-20/h3-17H,2,18H2,1H3,(H,24,27)(H,25,26)/b14-9+,17-16?,21-15-
InChIKeyLEXLVWOIBWHSGL-AXMQRDNRSA-N
MW360.46 g/mol
LogP3.94
Rot. Bonds8

About (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide

(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide (PubChem CID 155277984) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
PubChem CID155277984
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
SMILESCCCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)C=Cc1ccccc1
InChIInChI=1S/C23H24N2O2/c1-2-18-24-23(27)21(15-9-14-19-10-5-3-6-11-19)25-22(26)17-16-20-12-7-4-8-13-20/h3-17H,2,18H2,1H3,(H,24,27)(H,25,26)/b14-9+,17-16?,21-15-
InChIKeyLEXLVWOIBWHSGL-AXMQRDNRSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide
CID 155299089
(2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide
CID 155299076
(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide
CID 155278061
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid
CID 155299093
(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
CID 155277948
(Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
CID 155277964
N-[(2E,4E)-1-(butylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide
CID 6533578
4-butoxy-N-[(2Z,4E)-1-(3-hydroxypropylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 6374728
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-N-(heptylcarbamothioyl)-3-phenylprop-2-enamide
CID 6119188
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
4-butoxy-N-[(2E,4E)-1-(ethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2245743

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide?
The IUPAC name of (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide (CID 155277984) is (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide is CCCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)C=Cc1ccccc1.
What is the InChIKey of (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide?
The InChIKey is LEXLVWOIBWHSGL-AXMQRDNRSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-2-18-24-23(27)21(15-9-14-19-10-5-3-6-11-19)25-22(26)17-16-20-12-7-4-8-13-20/h3-17H,2,18H2,1H3,(H,24,27)(H,25,26)/b14-9+,17-16?,21-15-.
What are the key properties of (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide?
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide has a molecular weight of 360.46 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide is sourced from PubChem (CID 155277984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).