(Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide

C24H38N2O3 — CID 89433536

IUPAC(Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide
SMILESCC/C=C\CC(=O)NCCC(O)CCNC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C24H38N2O3/c1-5-6-7-8-23(28)25-15-13-22(27)14-16-26-24(29)19(4)21-11-9-20(10-12-21)17-18(2)3/h6-7,9-12,18-19,22,27H,5,8,13-17H2,1-4H3,(H,25,28)(H,26,29)/b7-6-
InChIKeyHHVCIDUIBMJYPB-SREVYHEPSA-N
MW402.58 g/mol
LogP3.72
Rot. Bonds13

About (Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide

(Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide (PubChem CID 89433536) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is (Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide.

Molecular Properties

Compound Name(Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide
PubChem CID89433536
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC Name(Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide
SMILESCC/C=C\CC(=O)NCCC(O)CCNC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C24H38N2O3/c1-5-6-7-8-23(28)25-15-13-22(27)14-16-26-24(29)19(4)21-11-9-20(10-12-21)17-18(2)3/h6-7,9-12,18-19,22,27H,5,8,13-17H2,1-4H3,(H,25,28)(H,26,29)/b7-6-
InChIKeyHHVCIDUIBMJYPB-SREVYHEPSA-N
XLogP3.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide?
The IUPAC name of (Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide (CID 89433536) is (Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide.
What is the SMILES notation for (Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide?
The canonical SMILES for (Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide is CC/C=C\CC(=O)NCCC(O)CCNC(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of (Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide?
The InChIKey is HHVCIDUIBMJYPB-SREVYHEPSA-N. The full InChI is InChI=1S/C24H38N2O3/c1-5-6-7-8-23(28)25-15-13-22(27)14-16-26-24(29)19(4)21-11-9-20(10-12-21)17-18(2)3/h6-7,9-12,18-19,22,27H,5,8,13-17H2,1-4H3,(H,25,28)(H,26,29)/b7-6-.
What are the key properties of (Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide?
(Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide has a molecular weight of 402.58 g/mol, XLogP of 3.72, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-hydroxy-5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentyl]hex-3-enamide is sourced from PubChem (CID 89433536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).