2-[2-hydroxypropyl(methyl)amino]butanamide

C8H18N2O2 — CID 62901231

IUPAC2-[2-hydroxypropyl(methyl)amino]butanamide
SMILESCCC(C(N)=O)N(C)CC(C)O
InChIInChI=1S/C8H18N2O2/c1-4-7(8(9)12)10(3)5-6(2)11/h6-7,11H,4-5H2,1-3H3,(H2,9,12)
InChIKeyKQLDGSBIWYGUQF-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.44
Rot. Bonds5

About 2-[2-hydroxypropyl(methyl)amino]butanamide

2-[2-hydroxypropyl(methyl)amino]butanamide (PubChem CID 62901231) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]butanamide.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]butanamide
PubChem CID62901231
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-[2-hydroxypropyl(methyl)amino]butanamide
SMILESCCC(C(N)=O)N(C)CC(C)O
InChIInChI=1S/C8H18N2O2/c1-4-7(8(9)12)10(3)5-6(2)11/h6-7,11H,4-5H2,1-3H3,(H2,9,12)
InChIKeyKQLDGSBIWYGUQF-UHFFFAOYSA-N
XLogP-0.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(methyl)amino]butanamide?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]butanamide (CID 62901231) is 2-[2-hydroxypropyl(methyl)amino]butanamide.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]butanamide?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]butanamide is CCC(C(N)=O)N(C)CC(C)O.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]butanamide?
The InChIKey is KQLDGSBIWYGUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-7(8(9)12)10(3)5-6(2)11/h6-7,11H,4-5H2,1-3H3,(H2,9,12).
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]butanamide?
2-[2-hydroxypropyl(methyl)amino]butanamide has a molecular weight of 174.24 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]butanamide is sourced from PubChem (CID 62901231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).