N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide

C13H21NO2 — CID 114631386

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1C2CCCC21
InChIInChI=1S/C13H21NO2/c1-13(2)9(6-10(13)15)14-12(16)11-7-4-3-5-8(7)11/h7-11,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyDRIKWJHQJYMXNX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.31
Rot. Bonds2

About N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 114631386) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID114631386
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1C2CCCC21
InChIInChI=1S/C13H21NO2/c1-13(2)9(6-10(13)15)14-12(16)11-7-4-3-5-8(7)11/h7-11,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyDRIKWJHQJYMXNX-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787570
2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide
CID 95984589
2-cyclohexyl-N-[(3S)-1-hydroxy-4-methylpentan-3-yl]acetamide
CID 97012317
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-oxocyclohexane-1-carboxamide
CID 126811979
4,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide
CID 113610307
3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide
CID 114226444
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114630580
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114630964
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114631228
N-(3-hydroxycyclobutyl)cyclopentanecarboxamide
CID 65976205
N-(5-hydroxyheptan-2-yl)-4-methylcyclohexane-1-carboxamide
CID 71201782
N-(3-hydroxycyclobutyl)-4-methylcyclohexane-1-carboxamide
CID 81877697

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 114631386) is N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide is CC1(C)C(O)CC1NC(=O)C1C2CCCC21.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is DRIKWJHQJYMXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2)9(6-10(13)15)14-12(16)11-7-4-3-5-8(7)11/h7-11,15H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 114631386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).