3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane

C30H50N4O2 — CID 144615443

IUPAC3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane
SMILESCC.CC(C)=C/C(C)=C\C=C\NC(=O)C(C)C(CCO)c1nnc(C2CC(CC(C)C)C2)n1C1CC1
InChIInChI=1S/C28H44N4O2.C2H6/c1-18(2)14-20(5)8-7-12-29-28(34)21(6)25(11-13-33)27-31-30-26(32(27)24-9-10-24)23-16-22(17-23)15-19(3)4;1-2/h7-8,12,14,19,21-25,33H,9-11,13,15-17H2,1-6H3,(H,29,34);1-2H3/b12-7+,20-8-;
InChIKeySKVWCHFZOVRQAM-JSVTUEIMSA-N
MW498.76 g/mol
LogP6.82
Rot. Bonds12

About 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane

3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane (PubChem CID 144615443) has the molecular formula C30H50N4O2 and a molecular weight of 498.76 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane
PubChem CID144615443
Molecular FormulaC30H50N4O2
Molecular Weight498.76 g/mol
Exact Mass498.39
IUPAC Name3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane
SMILESCC.CC(C)=C/C(C)=C\C=C\NC(=O)C(C)C(CCO)c1nnc(C2CC(CC(C)C)C2)n1C1CC1
InChIInChI=1S/C28H44N4O2.C2H6/c1-18(2)14-20(5)8-7-12-29-28(34)21(6)25(11-13-33)27-31-30-26(32(27)24-9-10-24)23-16-22(17-23)15-19(3)4;1-2/h7-8,12,14,19,21-25,33H,9-11,13,15-17H2,1-6H3,(H,29,34);1-2H3/b12-7+,20-8-;
InChIKeySKVWCHFZOVRQAM-JSVTUEIMSA-N
XLogP6.82
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.76
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane?
The IUPAC name of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane (CID 144615443) is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane.
What is the SMILES notation for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane?
The canonical SMILES for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane is CC.CC(C)=C/C(C)=C\C=C\NC(=O)C(C)C(CCO)c1nnc(C2CC(CC(C)C)C2)n1C1CC1.
What is the InChIKey of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane?
The InChIKey is SKVWCHFZOVRQAM-JSVTUEIMSA-N. The full InChI is InChI=1S/C28H44N4O2.C2H6/c1-18(2)14-20(5)8-7-12-29-28(34)21(6)25(11-13-33)27-31-30-26(32(27)24-9-10-24)23-16-22(17-23)15-19(3)4;1-2/h7-8,12,14,19,21-25,33H,9-11,13,15-17H2,1-6H3,(H,29,34);1-2H3/b12-7+,20-8-;.
What are the key properties of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane?
3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane has a molecular weight of 498.76 g/mol, XLogP of 6.82, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-[(1E,3Z)-4,6-dimethylhepta-1,3,5-trienyl]-5-hydroxy-2-methylpentanamide;ethane is sourced from PubChem (CID 144615443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).