2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide

C11H18N2O2 — CID 114291632

IUPAC2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NCC1CC(O)C1
InChIInChI=1S/C11H18N2O2/c1-3-11(2,7-12)10(15)13-6-8-4-9(14)5-8/h8-9,14H,3-6H2,1-2H3,(H,13,15)
InChIKeyYKYPZBMDHIPPQJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.81
Rot. Bonds4

About 2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide

2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide (PubChem CID 114291632) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide
PubChem CID114291632
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NCC1CC(O)C1
InChIInChI=1S/C11H18N2O2/c1-3-11(2,7-12)10(15)13-6-8-4-9(14)5-8/h8-9,14H,3-6H2,1-2H3,(H,13,15)
InChIKeyYKYPZBMDHIPPQJ-UHFFFAOYSA-N
XLogP0.81
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296190
2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide
CID 113270370
2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide
CID 114291149
2-amino-N-[(3-hydroxycyclobutyl)methyl]-2-methylpentanamide
CID 66004244
2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084
2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide
CID 113270371
1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea
CID 66005658
2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 114291661
2-cyano-2-methyl-N-(2-methylbutyl)butanamide
CID 114291439
2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide
CID 55207756
2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide
CID 113359686

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide?
The IUPAC name of 2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide (CID 114291632) is 2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide is CCC(C)(C#N)C(=O)NCC1CC(O)C1.
What is the InChIKey of 2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide?
The InChIKey is YKYPZBMDHIPPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-11(2,7-12)10(15)13-6-8-4-9(14)5-8/h8-9,14H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide?
2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide has a molecular weight of 210.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 114291632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).