N-(2-hydroxyethyl)-N,4-dimethylpentanamide

C9H19NO2 — CID 60740772

IUPACN-(2-hydroxyethyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)CCO
InChIInChI=1S/C9H19NO2/c1-8(2)4-5-9(12)10(3)6-7-11/h8,11H,4-7H2,1-3H3
InChIKeyVIWUEBRZHFBNSH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.87
Rot. Bonds5

About N-(2-hydroxyethyl)-N,4-dimethylpentanamide

N-(2-hydroxyethyl)-N,4-dimethylpentanamide (PubChem CID 60740772) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,4-dimethylpentanamide
PubChem CID60740772
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(2-hydroxyethyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)CCO
InChIInChI=1S/C9H19NO2/c1-8(2)4-5-9(12)10(3)6-7-11/h8,11H,4-7H2,1-3H3
InChIKeyVIWUEBRZHFBNSH-UHFFFAOYSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,4-dimethylpentanamide?
The IUPAC name of N-(2-hydroxyethyl)-N,4-dimethylpentanamide (CID 60740772) is N-(2-hydroxyethyl)-N,4-dimethylpentanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,4-dimethylpentanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,4-dimethylpentanamide is CC(C)CCC(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N,4-dimethylpentanamide?
The InChIKey is VIWUEBRZHFBNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)4-5-9(12)10(3)6-7-11/h8,11H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N,4-dimethylpentanamide?
N-(2-hydroxyethyl)-N,4-dimethylpentanamide has a molecular weight of 173.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,4-dimethylpentanamide is sourced from PubChem (CID 60740772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).