N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide

C14H25NO2 — CID 114126470

IUPACN-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCOCCC(C)(C)CNC(=O)C1CC2CC2C1
InChIInChI=1S/C14H25NO2/c1-14(2,4-5-17-3)9-15-13(16)12-7-10-6-11(10)8-12/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyNGEJGGBCBXZCGP-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.21
Rot. Bonds6

About N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 114126470) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID114126470
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCOCCC(C)(C)CNC(=O)C1CC2CC2C1
InChIInChI=1S/C14H25NO2/c1-14(2,4-5-17-3)9-15-13(16)12-7-10-6-11(10)8-12/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyNGEJGGBCBXZCGP-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide
CID 106254571
N-[2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propyl]-3-methylcyclobutane-1-carboxamide
CID 84586419
2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid
CID 104768994
N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide
CID 114125129
2-[(bicyclo[3.1.0]hexane-3-carbonylamino)methyl]-2-ethylbutanoic acid
CID 113308504
N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106251975
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 115522404
(3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide
CID 106254036
N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide
CID 104625347
N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
CID 103772539

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 114126470) is N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide is COCCC(C)(C)CNC(=O)C1CC2CC2C1.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is NGEJGGBCBXZCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,4-5-17-3)9-15-13(16)12-7-10-6-11(10)8-12/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 114126470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).