N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane

C11H25NO3 — CID 142322932

IUPACN-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane
SMILESCC.CC(C)(C)CC(=O)NCC(O)CO
InChIInChI=1S/C9H19NO3.C2H6/c1-9(2,3)4-8(13)10-5-7(12)6-11;1-2/h7,11-12H,4-6H2,1-3H3,(H,10,13);1-2H3
InChIKeyUCMKAWYEONQLHR-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.92
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane

N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane (PubChem CID 142322932) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane
PubChem CID142322932
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC NameN-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane
SMILESCC.CC(C)(C)CC(=O)NCC(O)CO
InChIInChI=1S/C9H19NO3.C2H6/c1-9(2,3)4-8(13)10-5-7(12)6-11;1-2/h7,11-12H,4-6H2,1-3H3,(H,10,13);1-2H3
InChIKeyUCMKAWYEONQLHR-UHFFFAOYSA-N
XLogP0.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 110902978
N-(2,3-dihydroxypropyl)butanamide
CID 20700885
N-(4-hydroxy-2-methylbutyl)-3,3-dimethylbutanamide
CID 66106193
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide
CID 107156617
N-(2,3-dihydroxypropyl)-2-propoxyacetamide
CID 107939672
3-acetamido-N-(2,3-dihydroxypropyl)propanamide
CID 66177308
3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide
CID 66170383
N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide
CID 106288532
methyl 2-bromo-3-(3,3-dimethylbutanoylamino)propanoate
CID 103492399
N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide
CID 66168913

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane?
The IUPAC name of N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane (CID 142322932) is N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane is CC.CC(C)(C)CC(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane?
The InChIKey is UCMKAWYEONQLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3.C2H6/c1-9(2,3)4-8(13)10-5-7(12)6-11;1-2/h7,11-12H,4-6H2,1-3H3,(H,10,13);1-2H3.
What are the key properties of N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane?
N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane has a molecular weight of 219.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane is sourced from PubChem (CID 142322932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).