N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide

C11H24N2O2 — CID 20678198

IUPACN-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCC(O)CN(C)C
InChIInChI=1S/C11H24N2O2/c1-6-11(2,3)10(15)12-7-9(14)8-13(4)5/h9,14H,6-8H2,1-5H3,(H,12,15)
InChIKeyOYHZTMXKRFUIMS-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.46
Rot. Bonds6

About N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide

N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide (PubChem CID 20678198) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide
PubChem CID20678198
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCC(O)CN(C)C
InChIInChI=1S/C11H24N2O2/c1-6-11(2,3)10(15)12-7-9(14)8-13(4)5/h9,14H,6-8H2,1-5H3,(H,12,15)
InChIKeyOYHZTMXKRFUIMS-UHFFFAOYSA-N
XLogP0.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide (CID 20678198) is N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCC(O)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide?
The InChIKey is OYHZTMXKRFUIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-6-11(2,3)10(15)12-7-9(14)8-13(4)5/h9,14H,6-8H2,1-5H3,(H,12,15).
What are the key properties of N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide?
N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxypropyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 20678198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).