(2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide

C16H21NO2 — CID 11299927

IUPAC(2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide
SMILESCC(C)/C(=C\C=C\c1ccccc1)C(=O)NCCO
InChIInChI=1S/C16H21NO2/c1-13(2)15(16(19)17-11-12-18)10-6-9-14-7-4-3-5-8-14/h3-10,13,18H,11-12H2,1-2H3,(H,17,19)/b9-6+,15-10+
InChIKeyDJVOYGNGWRRQKE-UJHPFZFGSA-N
MW259.35 g/mol
LogP2.39
Rot. Bonds6

About (2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide

(2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide (PubChem CID 11299927) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide
PubChem CID11299927
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide
SMILESCC(C)/C(=C\C=C\c1ccccc1)C(=O)NCCO
InChIInChI=1S/C16H21NO2/c1-13(2)15(16(19)17-11-12-18)10-6-9-14-7-4-3-5-8-14/h3-10,13,18H,11-12H2,1-2H3,(H,17,19)/b9-6+,15-10+
InChIKeyDJVOYGNGWRRQKE-UJHPFZFGSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.39
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'}

Analyze (2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide
CID 155299089
N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110877634
N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide
CID 88603250
ethane-1,2-diol;bis(2-methyl-5-phenylpenta-2,4-dienoic acid)
CID 173388438
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
CID 155277984
(2Z,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide
CID 2343498
bis(2-methylpropyl) 2-cinnamylidenepropanedioate
CID 3022515
(5-chloro-4-methylpenta-1,3-dienyl)benzene
CID 79323612
2-cinnamylidene-3-methylhepta-4,6-dienoic acid
CID 87092275
(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide
CID 6076664
methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate
CID 57495388
5-phenyl-2-sulfanylpenta-2,4-dienoic acid
CID 965917

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide (CID 11299927) is (2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide is CC(C)/C(=C\C=C\c1ccccc1)C(=O)NCCO.
What is the InChIKey of (2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide?
The InChIKey is DJVOYGNGWRRQKE-UJHPFZFGSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13(2)15(16(19)17-11-12-18)10-6-9-14-7-4-3-5-8-14/h3-10,13,18H,11-12H2,1-2H3,(H,17,19)/b9-6+,15-10+.
What are the key properties of (2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide?
(2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide has a molecular weight of 259.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide is sourced from PubChem (CID 11299927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).