N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide

C11H24N2O3 — CID 59095166

IUPACN-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide
SMILESCCC(O)CNCN(CC(O)CC)C(C)=O
InChIInChI=1S/C11H24N2O3/c1-4-10(15)6-12-8-13(9(3)14)7-11(16)5-2/h10-12,15-16H,4-8H2,1-3H3
InChIKeyWDQMAWNZXSBFJA-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.08
Rot. Bonds8

About N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide

N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide (PubChem CID 59095166) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide
PubChem CID59095166
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC NameN-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide
SMILESCCC(O)CNCN(CC(O)CC)C(C)=O
InChIInChI=1S/C11H24N2O3/c1-4-10(15)6-12-8-13(9(3)14)7-11(16)5-2/h10-12,15-16H,4-8H2,1-3H3
InChIKeyWDQMAWNZXSBFJA-UHFFFAOYSA-N
XLogP-0.08
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.08
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-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide?
The IUPAC name of N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide (CID 59095166) is N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide.
What is the SMILES notation for N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide?
The canonical SMILES for N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide is CCC(O)CNCN(CC(O)CC)C(C)=O.
What is the InChIKey of N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide?
The InChIKey is WDQMAWNZXSBFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-4-10(15)6-12-8-13(9(3)14)7-11(16)5-2/h10-12,15-16H,4-8H2,1-3H3.
What are the key properties of N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide?
N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide has a molecular weight of 232.32 g/mol, XLogP of -0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide is sourced from PubChem (CID 59095166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).