N-[[bis(2-hydroxybutyl)amino]methyl]butanamide

C13H28N2O3 — CID 59360326

IUPACN-[[bis(2-hydroxybutyl)amino]methyl]butanamide
SMILESCCCC(=O)NCN(CC(O)CC)CC(O)CC
InChIInChI=1S/C13H28N2O3/c1-4-7-13(18)14-10-15(8-11(16)5-2)9-12(17)6-3/h11-12,16-17H,4-10H2,1-3H3,(H,14,18)
InChIKeyQHXRJAZIDWBYHS-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.70
Rot. Bonds10

About N-[[bis(2-hydroxybutyl)amino]methyl]butanamide

N-[[bis(2-hydroxybutyl)amino]methyl]butanamide (PubChem CID 59360326) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[bis(2-hydroxybutyl)amino]methyl]butanamide.

Molecular Properties

Compound NameN-[[bis(2-hydroxybutyl)amino]methyl]butanamide
PubChem CID59360326
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC NameN-[[bis(2-hydroxybutyl)amino]methyl]butanamide
SMILESCCCC(=O)NCN(CC(O)CC)CC(O)CC
InChIInChI=1S/C13H28N2O3/c1-4-7-13(18)14-10-15(8-11(16)5-2)9-12(17)6-3/h11-12,16-17H,4-10H2,1-3H3,(H,14,18)
InChIKeyQHXRJAZIDWBYHS-UHFFFAOYSA-N
XLogP0.70
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[bis(2-hydroxybutyl)amino]methyl]butanamide?
The IUPAC name of N-[[bis(2-hydroxybutyl)amino]methyl]butanamide (CID 59360326) is N-[[bis(2-hydroxybutyl)amino]methyl]butanamide.
What is the SMILES notation for N-[[bis(2-hydroxybutyl)amino]methyl]butanamide?
The canonical SMILES for N-[[bis(2-hydroxybutyl)amino]methyl]butanamide is CCCC(=O)NCN(CC(O)CC)CC(O)CC.
What is the InChIKey of N-[[bis(2-hydroxybutyl)amino]methyl]butanamide?
The InChIKey is QHXRJAZIDWBYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-4-7-13(18)14-10-15(8-11(16)5-2)9-12(17)6-3/h11-12,16-17H,4-10H2,1-3H3,(H,14,18).
What are the key properties of N-[[bis(2-hydroxybutyl)amino]methyl]butanamide?
N-[[bis(2-hydroxybutyl)amino]methyl]butanamide has a molecular weight of 260.38 g/mol, XLogP of 0.70, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[bis(2-hydroxybutyl)amino]methyl]butanamide is sourced from PubChem (CID 59360326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).