N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide

C10H22N2O2 — CID 115877326

IUPACN-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
SMILESCCC(C)NC(=O)CN(C)C(C)CO
InChIInChI=1S/C10H22N2O2/c1-5-8(2)11-10(14)6-12(4)9(3)7-13/h8-9,13H,5-7H2,1-4H3,(H,11,14)
InChIKeyZGHBCCDOPHCJEU-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.21
Rot. Bonds6

About N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide

N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide (PubChem CID 115877326) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
PubChem CID115877326
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
SMILESCCC(C)NC(=O)CN(C)C(C)CO
InChIInChI=1S/C10H22N2O2/c1-5-8(2)11-10(14)6-12(4)9(3)7-13/h8-9,13H,5-7H2,1-4H3,(H,11,14)
InChIKeyZGHBCCDOPHCJEU-UHFFFAOYSA-N
XLogP0.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide (CID 115877326) is N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide is CCC(C)NC(=O)CN(C)C(C)CO.
What is the InChIKey of N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
The InChIKey is ZGHBCCDOPHCJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-8(2)11-10(14)6-12(4)9(3)7-13/h8-9,13H,5-7H2,1-4H3,(H,11,14).
What are the key properties of N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide has a molecular weight of 202.30 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide is sourced from PubChem (CID 115877326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).