N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide

C12H21NO — CID 98231847

IUPACN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C12H21NO/c1-12(2,3)11(14)13-10-7-8-4-5-9(10)6-8/h8-10H,4-7H2,1-3H3,(H,13,14)/t8-,9-,10-/m1/s1
InChIKeyBQHMSUVJSDUCDP-OPRDCNLKSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds1

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide (PubChem CID 98231847) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
PubChem CID98231847
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C12H21NO/c1-12(2,3)11(14)13-10-7-8-4-5-9(10)6-8/h8-10H,4-7H2,1-3H3,(H,13,14)/t8-,9-,10-/m1/s1
InChIKeyBQHMSUVJSDUCDP-OPRDCNLKSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide
CID 114328764
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide
CID 77045509
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
1-N,3-N,5-N-tris(2-bicyclo[2.2.1]heptanyl)cyclohexane-1,3,5-tricarboxamide
CID 171722556
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide
CID 96569471
3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea
CID 115642104
1-acetamido-3-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]thiourea
CID 21174598
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
CID 79012677
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 124786150
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride
CID 119327587

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide (CID 98231847) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide?
The InChIKey is BQHMSUVJSDUCDP-OPRDCNLKSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)11(14)13-10-7-8-4-5-9(10)6-8/h8-10H,4-7H2,1-3H3,(H,13,14)/t8-,9-,10-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide?
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide has a molecular weight of 195.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 98231847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).