N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide

C12H23NO2 — CID 102867421

IUPACN-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide
SMILESCCC(CC)C(=O)N(CCO)C1CCC1
InChIInChI=1S/C12H23NO2/c1-3-10(4-2)12(15)13(8-9-14)11-6-5-7-11/h10-11,14H,3-9H2,1-2H3
InChIKeyYOOOWHWJMPFSIB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.80
Rot. Bonds6

About N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide

N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide (PubChem CID 102867421) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound NameN-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide
PubChem CID102867421
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide
SMILESCCC(CC)C(=O)N(CCO)C1CCC1
InChIInChI=1S/C12H23NO2/c1-3-10(4-2)12(15)13(8-9-14)11-6-5-7-11/h10-11,14H,3-9H2,1-2H3
InChIKeyYOOOWHWJMPFSIB-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide?
The IUPAC name of N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide (CID 102867421) is N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide is CCC(CC)C(=O)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide?
The InChIKey is YOOOWHWJMPFSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-10(4-2)12(15)13(8-9-14)11-6-5-7-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide?
N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide has a molecular weight of 213.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 102867421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).