N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide

C11H23NO3 — CID 107866619

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide
SMILESCCC(CO)(CO)NC(=O)C(C)(C)CC
InChIInChI=1S/C11H23NO3/c1-5-10(3,4)9(15)12-11(6-2,7-13)8-14/h13-14H,5-8H2,1-4H3,(H,12,15)
InChIKeySHLMYOLEEQPDKH-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.67
Rot. Bonds6

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide (PubChem CID 107866619) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide
PubChem CID107866619
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide
SMILESCCC(CO)(CO)NC(=O)C(C)(C)CC
InChIInChI=1S/C11H23NO3/c1-5-10(3,4)9(15)12-11(6-2,7-13)8-14/h13-14H,5-8H2,1-4H3,(H,12,15)
InChIKeySHLMYOLEEQPDKH-UHFFFAOYSA-N
XLogP0.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide
CID 107865579
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxy-2-methylpropanamide
CID 107866520
2-(aminomethyl)-2-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865773
2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide
CID 114010599
[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamic acid
CID 54273301
N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106166843
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104630084
2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide
CID 82110016
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide
CID 107845591
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
2-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107865103
2-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107906051

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide (CID 107866619) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide is CCC(CO)(CO)NC(=O)C(C)(C)CC.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide?
The InChIKey is SHLMYOLEEQPDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-10(3,4)9(15)12-11(6-2,7-13)8-14/h13-14H,5-8H2,1-4H3,(H,12,15).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide has a molecular weight of 217.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide is sourced from PubChem (CID 107866619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).