2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide

C12H20N2O2 — CID 63706504

IUPAC2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide
SMILESCC(C)C(C#N)C(=O)NCC1CCOCC1
InChIInChI=1S/C12H20N2O2/c1-9(2)11(7-13)12(15)14-8-10-3-5-16-6-4-10/h9-11H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyXGCFWVXMOBTTKK-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.32
Rot. Bonds4

About 2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide

2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide (PubChem CID 63706504) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide
PubChem CID63706504
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide
SMILESCC(C)C(C#N)C(=O)NCC1CCOCC1
InChIInChI=1S/C12H20N2O2/c1-9(2)11(7-13)12(15)14-8-10-3-5-16-6-4-10/h9-11H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyXGCFWVXMOBTTKK-UHFFFAOYSA-N
XLogP1.32
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 63243648
2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296189
2-cyano-N-(oxolan-3-ylmethyl)propanamide
CID 62825407
3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide
CID 63706186
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026
2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 63711162
methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686
2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 62822757
N-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 62351557
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylbutanamide
CID 79400785
(2E,4E)-7-methyl-N-(oxan-4-ylmethyl)octa-2,4-dienamide
CID 88991036

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide?
The IUPAC name of 2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide (CID 63706504) is 2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide.
What is the SMILES notation for 2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide?
The canonical SMILES for 2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide is CC(C)C(C#N)C(=O)NCC1CCOCC1.
What is the InChIKey of 2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide?
The InChIKey is XGCFWVXMOBTTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)11(7-13)12(15)14-8-10-3-5-16-6-4-10/h9-11H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide?
2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide has a molecular weight of 224.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide is sourced from PubChem (CID 63706504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).