N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide

C10H21NO4 — CID 88857523

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C10H21NO4/c1-4-9(2,3)8(15)11-10(5-12,6-13)7-14/h12-14H,4-7H2,1-3H3,(H,11,15)
InChIKeyXHJDYEAVWQXGBK-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.75
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide (PubChem CID 88857523) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide
PubChem CID88857523
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C10H21NO4/c1-4-9(2,3)8(15)11-10(5-12,6-13)7-14/h12-14H,4-7H2,1-3H3,(H,11,15)
InChIKeyXHJDYEAVWQXGBK-UHFFFAOYSA-N
XLogP-0.75
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide (CID 88857523) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide?
The InChIKey is XHJDYEAVWQXGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-4-9(2,3)8(15)11-10(5-12,6-13)7-14/h12-14H,4-7H2,1-3H3,(H,11,15).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide has a molecular weight of 219.28 g/mol, XLogP of -0.75, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide is sourced from PubChem (CID 88857523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).