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

C22H22N2O3 — CID 155299089

IUPAC(2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide
SMILESO=C(C=Cc1ccccc1)N/C(=C\C=C\c1ccccc1)C(=O)NCCO
InChIInChI=1S/C22H22N2O3/c25-17-16-23-22(27)20(13-7-12-18-8-3-1-4-9-18)24-21(26)15-14-19-10-5-2-6-11-19/h1-15,25H,16-17H2,(H,23,27)(H,24,26)/b12-7+,15-14?,20-13-
InChIKeyNNAUNRXLFGBZSL-ORQYHNKISA-N
MW362.43 g/mol
LogP2.52
Rot. Bonds8

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

(2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide (PubChem CID 155299089) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide
PubChem CID155299089
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name(2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide
SMILESO=C(C=Cc1ccccc1)N/C(=C\C=C\c1ccccc1)C(=O)NCCO
InChIInChI=1S/C22H22N2O3/c25-17-16-23-22(27)20(13-7-12-18-8-3-1-4-9-18)24-21(26)15-14-19-10-5-2-6-11-19/h1-15,25H,16-17H2,(H,23,27)(H,24,26)/b12-7+,15-14?,20-13-
InChIKeyNNAUNRXLFGBZSL-ORQYHNKISA-N
XLogP2.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-N-propylpenta-2,4-dienamide
CID 155277984
(2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide
CID 155299076
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid
CID 155299093
(2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide
CID 11299927
(Z)-3-(furan-2-yl)-N-(3-hydroxypropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 7480372
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110877634
4-butoxy-N-[(2Z,4E)-1-(3-hydroxypropylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 6374728
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide
CID 155278061
(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
CID 155277948

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide?
The IUPAC name of (2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide (CID 155299089) is (2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide is O=C(C=Cc1ccccc1)N/C(=C\C=C\c1ccccc1)C(=O)NCCO.
What is the InChIKey of (2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide?
The InChIKey is NNAUNRXLFGBZSL-ORQYHNKISA-N. The full InChI is InChI=1S/C22H22N2O3/c25-17-16-23-22(27)20(13-7-12-18-8-3-1-4-9-18)24-21(26)15-14-19-10-5-2-6-11-19/h1-15,25H,16-17H2,(H,23,27)(H,24,26)/b12-7+,15-14?,20-13-.
What are the key properties of (2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide?
(2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide has a molecular weight of 362.43 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide is sourced from PubChem (CID 155299089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).