2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide

C14H25NO2 — CID 10466783

IUPAC2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C14H25NO2/c1-12(2)10-6-7-13(12,3)14(17,8-10)9-11(16)15(4)5/h10,17H,6-9H2,1-5H3/t10-,13-,14+/m1/s1
InChIKeyICCGEMNCIGDITD-HONMWMINSA-N
MW239.36 g/mol
LogP2.04
Rot. Bonds2

About 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide

2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide (PubChem CID 10466783) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide
PubChem CID10466783
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C14H25NO2/c1-12(2)10-6-7-13(12,3)14(17,8-10)9-11(16)15(4)5/h10,17H,6-9H2,1-5H3/t10-,13-,14+/m1/s1
InChIKeyICCGEMNCIGDITD-HONMWMINSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide 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 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide (CID 10466783) is 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide is CN(C)C(=O)C[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide?
The InChIKey is ICCGEMNCIGDITD-HONMWMINSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12(2)10-6-7-13(12,3)14(17,8-10)9-11(16)15(4)5/h10,17H,6-9H2,1-5H3/t10-,13-,14+/m1/s1.
What are the key properties of 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide?
2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide has a molecular weight of 239.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 10466783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).