N-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide

C10H22N2O2 — CID 20796095

IUPACN-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CN(C)CC(O)CC
InChIInChI=1S/C10H22N2O2/c1-5-9(13)7-11(3)8-12(4)10(14)6-2/h9,13H,5-8H2,1-4H3
InChIKeyPDKTUIYNKAPEQU-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.51
Rot. Bonds6

About N-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide

N-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide (PubChem CID 20796095) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide
PubChem CID20796095
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CN(C)CC(O)CC
InChIInChI=1S/C10H22N2O2/c1-5-9(13)7-11(3)8-12(4)10(14)6-2/h9,13H,5-8H2,1-4H3
InChIKeyPDKTUIYNKAPEQU-UHFFFAOYSA-N
XLogP0.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide?
The IUPAC name of N-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide (CID 20796095) is N-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide.
What is the SMILES notation for N-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide?
The canonical SMILES for N-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide is CCC(=O)N(C)CN(C)CC(O)CC.
What is the InChIKey of N-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide?
The InChIKey is PDKTUIYNKAPEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-9(13)7-11(3)8-12(4)10(14)6-2/h9,13H,5-8H2,1-4H3.
What are the key properties of N-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide?
N-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide has a molecular weight of 202.30 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-hydroxybutyl(methyl)amino]methyl]-N-methylpropanamide is sourced from PubChem (CID 20796095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).