N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide

C16H26N2O3 — CID 143726792

IUPACN'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide
SMILESCC1C=CC=C(NC(=O)CCCCCCC(=O)NO)CC1
InChIInChI=1S/C16H26N2O3/c1-13-7-6-8-14(12-11-13)17-15(19)9-4-2-3-5-10-16(20)18-21/h6-8,13,21H,2-5,9-12H2,1H3,(H,17,19)(H,18,20)
InChIKeyOIRXFTKHBNJAMJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.82
Rot. Bonds8

About N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide

N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide (PubChem CID 143726792) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide
PubChem CID143726792
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide
SMILESCC1C=CC=C(NC(=O)CCCCCCC(=O)NO)CC1
InChIInChI=1S/C16H26N2O3/c1-13-7-6-8-14(12-11-13)17-15(19)9-4-2-3-5-10-16(20)18-21/h6-8,13,21H,2-5,9-12H2,1H3,(H,17,19)(H,18,20)
InChIKeyOIRXFTKHBNJAMJ-UHFFFAOYSA-N
XLogP2.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide 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 N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide?
The IUPAC name of N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide (CID 143726792) is N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide.
What is the SMILES notation for N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide?
The canonical SMILES for N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide is CC1C=CC=C(NC(=O)CCCCCCC(=O)NO)CC1.
What is the InChIKey of N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide?
The InChIKey is OIRXFTKHBNJAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13-7-6-8-14(12-11-13)17-15(19)9-4-2-3-5-10-16(20)18-21/h6-8,13,21H,2-5,9-12H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide?
N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide has a molecular weight of 294.39 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide is sourced from PubChem (CID 143726792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).