(2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide

C21H20N2O2 — CID 155299076

IUPAC(2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide
SMILESCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H20N2O2/c1-22-21(25)19(14-8-13-17-9-4-2-5-10-17)23-20(24)16-15-18-11-6-3-7-12-18/h2-16H,1H3,(H,22,25)(H,23,24)/b13-8+,16-15+,19-14-
InChIKeyABICNYNOTYXXPP-VZXUCIHMSA-N
MW332.40 g/mol
LogP3.16
Rot. Bonds6

About (2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide

(2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide (PubChem CID 155299076) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide
PubChem CID155299076
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide
SMILESCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H20N2O2/c1-22-21(25)19(14-8-13-17-9-4-2-5-10-17)23-20(24)16-15-18-11-6-3-7-12-18/h2-16H,1H3,(H,22,25)(H,23,24)/b13-8+,16-15+,19-14-
InChIKeyABICNYNOTYXXPP-VZXUCIHMSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.16
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)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid
CID 155299093
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
CID 155277984
(2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide
CID 155299089
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
4-butoxy-N-[(2E,4E)-1-(methylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2255059
N-[(2E,4Z)-1-(methylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide
CID 20833660
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide
CID 70157750
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049
3-oxo-N-[(E)-3-phenylprop-2-enoyl]butanamide
CID 12682099
(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 155297574
(Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 155297575

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide?
The IUPAC name of (2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide (CID 155299076) is (2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide is CNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide?
The InChIKey is ABICNYNOTYXXPP-VZXUCIHMSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-22-21(25)19(14-8-13-17-9-4-2-5-10-17)23-20(24)16-15-18-11-6-3-7-12-18/h2-16H,1H3,(H,22,25)(H,23,24)/b13-8+,16-15+,19-14-.
What are the key properties of (2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide?
(2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide has a molecular weight of 332.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide is sourced from PubChem (CID 155299076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).