N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide

C15H25NO2 — CID 166281340

IUPACN-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide
SMILESO=C(NC1CC2CCCCCC2C1)C(O)C1CC1
InChIInChI=1S/C15H25NO2/c17-14(10-6-7-10)15(18)16-13-8-11-4-2-1-3-5-12(11)9-13/h10-14,17H,1-9H2,(H,16,18)
InChIKeyMFAWXYLFJYUCGO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.23
Rot. Bonds3

About N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide

N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide (PubChem CID 166281340) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide
PubChem CID166281340
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide
SMILESO=C(NC1CC2CCCCCC2C1)C(O)C1CC1
InChIInChI=1S/C15H25NO2/c17-14(10-6-7-10)15(18)16-13-8-11-4-2-1-3-5-12(11)9-13/h10-14,17H,1-9H2,(H,16,18)
InChIKeyMFAWXYLFJYUCGO-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide 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-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide?
The IUPAC name of N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide (CID 166281340) is N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide?
The canonical SMILES for N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide is O=C(NC1CC2CCCCCC2C1)C(O)C1CC1.
What is the InChIKey of N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide?
The InChIKey is MFAWXYLFJYUCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-14(10-6-7-10)15(18)16-13-8-11-4-2-1-3-5-12(11)9-13/h10-14,17H,1-9H2,(H,16,18).
What are the key properties of N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide?
N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide has a molecular weight of 251.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide is sourced from PubChem (CID 166281340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).