N-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide

C11H23NO3 — CID 79192812

IUPACN-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide
SMILESCCC(C)N(CCOC)C(=O)CCCO
InChIInChI=1S/C11H23NO3/c1-4-10(2)12(7-9-15-3)11(14)6-5-8-13/h10,13H,4-9H2,1-3H3
InChIKeyWKOHGXXFAJUKAP-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.03
Rot. Bonds8

About N-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide

N-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide (PubChem CID 79192812) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide
PubChem CID79192812
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide
SMILESCCC(C)N(CCOC)C(=O)CCCO
InChIInChI=1S/C11H23NO3/c1-4-10(2)12(7-9-15-3)11(14)6-5-8-13/h10,13H,4-9H2,1-3H3
InChIKeyWKOHGXXFAJUKAP-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide?
The IUPAC name of N-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide (CID 79192812) is N-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for N-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide?
The canonical SMILES for N-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide is CCC(C)N(CCOC)C(=O)CCCO.
What is the InChIKey of N-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide?
The InChIKey is WKOHGXXFAJUKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-10(2)12(7-9-15-3)11(14)6-5-8-13/h10,13H,4-9H2,1-3H3.
What are the key properties of N-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide?
N-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide has a molecular weight of 217.31 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-hydroxy-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 79192812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).