4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide

C13H20N2O2 — CID 103737393

IUPAC4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide
SMILESCC1(CNC(=O)C2(C#N)CCOCC2)CCC1
InChIInChI=1S/C13H20N2O2/c1-12(3-2-4-12)10-15-11(16)13(9-14)5-7-17-8-6-13/h2-8,10H2,1H3,(H,15,16)
InChIKeyZYSIQEIDJCKZMK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds3

About 4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide

4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide (PubChem CID 103737393) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide
PubChem CID103737393
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide
SMILESCC1(CNC(=O)C2(C#N)CCOCC2)CCC1
InChIInChI=1S/C13H20N2O2/c1-12(3-2-4-12)10-15-11(16)13(9-14)5-7-17-8-6-13/h2-8,10H2,1H3,(H,15,16)
InChIKeyZYSIQEIDJCKZMK-UHFFFAOYSA-N
XLogP1.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
CID 103722107
4-cyano-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-4-carboxamide
CID 79362624
4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102906074
4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide
CID 65043131
1-amino-N-[(4-methyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 103798079
1-carbamothioyl-N-[(4-methyloxan-4-yl)methyl]cyclobutane-1-carboxamide
CID 114125500
1-methyl-N-[(1-methylcyclobutyl)methyl]cyclopropane-1-carboxamide
CID 126990723
1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide
CID 103993297
4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
CID 115619309
4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide
CID 115619318
2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742628
4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide
CID 103725573

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide (CID 103737393) is 4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide is CC1(CNC(=O)C2(C#N)CCOCC2)CCC1.
What is the InChIKey of 4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide?
The InChIKey is ZYSIQEIDJCKZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-12(3-2-4-12)10-15-11(16)13(9-14)5-7-17-8-6-13/h2-8,10H2,1H3,(H,15,16).
What are the key properties of 4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide?
4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 103737393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).