N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C17H29NO2 — CID 65119503

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C17H29NO2/c1-16(2)5-7-17(20,8-6-16)11-18-15(19)14-10-12-3-4-13(14)9-12/h12-14,20H,3-11H2,1-2H3,(H,18,19)
InChIKeyZDBIMXXYPAJFTB-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.87
Rot. Bonds3

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 65119503) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID65119503
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C17H29NO2/c1-16(2)5-7-17(20,8-6-16)11-18-15(19)14-10-12-3-4-13(14)9-12/h12-14,20H,3-11H2,1-2H3,(H,18,19)
InChIKeyZDBIMXXYPAJFTB-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide 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-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 65119503) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is CC1(C)CCC(O)(CNC(=O)C2CC3CCC2C3)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZDBIMXXYPAJFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-16(2)5-7-17(20,8-6-16)11-18-15(19)14-10-12-3-4-13(14)9-12/h12-14,20H,3-11H2,1-2H3,(H,18,19).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 279.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 65119503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).