4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide

C13H22N2O2 — CID 113234659

IUPAC4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide
SMILESCC(NC(=O)C1(C#N)CCOCC1)C(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-10(12(2,3)4)15-11(16)13(9-14)5-7-17-8-6-13/h10H,5-8H2,1-4H3,(H,15,16)
InChIKeyUAOLYMWZHAOIRW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.86
Rot. Bonds2

About 4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide

4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide (PubChem CID 113234659) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide
PubChem CID113234659
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide
SMILESCC(NC(=O)C1(C#N)CCOCC1)C(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-10(12(2,3)4)15-11(16)13(9-14)5-7-17-8-6-13/h10H,5-8H2,1-4H3,(H,15,16)
InChIKeyUAOLYMWZHAOIRW-UHFFFAOYSA-N
XLogP1.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[(2S)-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 166567883
1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide
CID 104828325
N-(4-amino-4-oxobutan-2-yl)-4-cyanooxane-4-carboxamide
CID 115664806
4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102906074
4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide
CID 103750220
4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide
CID 65043131
4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide
CID 115619331
4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide
CID 63903829
4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
CID 103722107
1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide
CID 106350128
4-cyano-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-4-carboxamide
CID 79362624
4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103945288

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide (CID 113234659) is 4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide is CC(NC(=O)C1(C#N)CCOCC1)C(C)(C)C.
What is the InChIKey of 4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide?
The InChIKey is UAOLYMWZHAOIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(12(2,3)4)15-11(16)13(9-14)5-7-17-8-6-13/h10H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide?
4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 113234659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).