4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide

C15H26N2O2 — CID 102906074

IUPAC4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
SMILESCC(C)C(CNC(=O)C1(C#N)CCOCC1)C(C)C
InChIInChI=1S/C15H26N2O2/c1-11(2)13(12(3)4)9-17-14(18)15(10-16)5-7-19-8-6-15/h11-13H,5-9H2,1-4H3,(H,17,18)
InChIKeyZHDYFFGIEPFVHV-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.35
Rot. Bonds5

About 4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide

4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide (PubChem CID 102906074) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
PubChem CID102906074
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
SMILESCC(C)C(CNC(=O)C1(C#N)CCOCC1)C(C)C
InChIInChI=1S/C15H26N2O2/c1-11(2)13(12(3)4)9-17-14(18)15(10-16)5-7-19-8-6-15/h11-13H,5-9H2,1-4H3,(H,17,18)
InChIKeyZHDYFFGIEPFVHV-UHFFFAOYSA-N
XLogP2.35
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102905819
4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide
CID 103725573
4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
CID 103722107
4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide
CID 113234659
4-cyano-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-4-carboxamide
CID 79362624
4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide
CID 103737393
N-(4-amino-4-oxobutan-2-yl)-4-cyanooxane-4-carboxamide
CID 115664806
4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide
CID 65043131
4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide
CID 115619318
4-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]oxane-4-carboxamide
CID 113233756
4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
CID 115619309
4-[[(4-cyanooxane-4-carbonyl)amino]methyl]benzoic acid
CID 99038411

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide (CID 102906074) is 4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide is CC(C)C(CNC(=O)C1(C#N)CCOCC1)C(C)C.
What is the InChIKey of 4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide?
The InChIKey is ZHDYFFGIEPFVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)13(12(3)4)9-17-14(18)15(10-16)5-7-19-8-6-15/h11-13H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide?
4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide is sourced from PubChem (CID 102906074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).