N-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide

C12H23NO3 — CID 103021238

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)N(CCO)C1CCC1
InChIInChI=1S/C12H23NO3/c1-12(2,16-3)9-11(15)13(7-8-14)10-5-4-6-10/h10,14H,4-9H2,1-3H3
InChIKeyJNENHRQUIZWGNC-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.17
Rot. Bonds6

About N-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide

N-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide (PubChem CID 103021238) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide
PubChem CID103021238
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)N(CCO)C1CCC1
InChIInChI=1S/C12H23NO3/c1-12(2,16-3)9-11(15)13(7-8-14)10-5-4-6-10/h10,14H,4-9H2,1-3H3
InChIKeyJNENHRQUIZWGNC-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide (CID 103021238) is N-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide?
The InChIKey is JNENHRQUIZWGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,16-3)9-11(15)13(7-8-14)10-5-4-6-10/h10,14H,4-9H2,1-3H3.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide?
N-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide has a molecular weight of 229.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103021238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).