4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide

C14H24N2O2 — CID 80732812

IUPAC4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NC2CC3CCC2O3)CCC1N
InChIInChI=1S/C14H24N2O2/c1-8-6-9(2-4-11(8)15)14(17)16-12-7-10-3-5-13(12)18-10/h8-13H,2-7,15H2,1H3,(H,16,17)
InChIKeySENLZUDQAHJWMP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.19
Rot. Bonds2

About 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide

4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide (PubChem CID 80732812) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
PubChem CID80732812
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NC2CC3CCC2O3)CCC1N
InChIInChI=1S/C14H24N2O2/c1-8-6-9(2-4-11(8)15)14(17)16-12-7-10-3-5-13(12)18-10/h8-13H,2-7,15H2,1H3,(H,16,17)
InChIKeySENLZUDQAHJWMP-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80731930
9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990013
2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119790821
4-amino-N-(3,5-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64733535
4-amino-3-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 62783524
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
methyl 2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclobutane-1-carboxylate
CID 136542022
2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 80717724
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
4-amino-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62777735

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide (CID 80732812) is 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide is CC1CC(C(=O)NC2CC3CCC2O3)CCC1N.
What is the InChIKey of 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is SENLZUDQAHJWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-8-6-9(2-4-11(8)15)14(17)16-12-7-10-3-5-13(12)18-10/h8-13H,2-7,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 80732812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).