N-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide

C11H21NO2 — CID 115878102

IUPACN-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1(CO)CCC1
InChIInChI=1S/C11H21NO2/c1-3-5-9(2)10(14)12-11(8-13)6-4-7-11/h9,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyWQRZDTLKYYGAHA-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.45
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide

N-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide (PubChem CID 115878102) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide
PubChem CID115878102
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1(CO)CCC1
InChIInChI=1S/C11H21NO2/c1-3-5-9(2)10(14)12-11(8-13)6-4-7-11/h9,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyWQRZDTLKYYGAHA-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide (CID 115878102) is N-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide is CCCC(C)C(=O)NC1(CO)CCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide?
The InChIKey is WQRZDTLKYYGAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-9(2)10(14)12-11(8-13)6-4-7-11/h9,13H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide?
N-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide has a molecular weight of 199.29 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-2-methylpentanamide is sourced from PubChem (CID 115878102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).