2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide

C8H15NO2 — CID 71755387

IUPAC2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NC[C@@H]1CO1
InChIInChI=1S/C8H15NO2/c1-8(2,3)7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKeyBRFWAVIZIBIALS-ZCFIWIBFSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds2

About 2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide

2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide (PubChem CID 71755387) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide
PubChem CID71755387
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NC[C@@H]1CO1
InChIInChI=1S/C8H15NO2/c1-8(2,3)7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKeyBRFWAVIZIBIALS-ZCFIWIBFSA-N
XLogP0.55
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide
CID 61266429
N,N'-bis(oxiran-2-ylmethyl)butanediamide
CID 175178142
N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide
CID 62847455
2-methyl-N-(oxiran-2-ylmethyl)propanamide
CID 102548474
N-[[(2R)-oxiran-2-yl]methyl]butanamide
CID 97180860
2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide
CID 141190006
N-(oxiran-2-ylmethyl)-2-sulfanylacetamide
CID 174615641
2,2-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 79357275
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842
2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
1-[(2S,5R)-5-(3,3-dimethyl-2-oxobutyl)-1,4-dioxan-2-yl]-3,3-dimethylbutan-2-one
CID 10859042

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide (CID 71755387) is 2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide is CC(C)(C)C(=O)NC[C@@H]1CO1.
What is the InChIKey of 2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide?
The InChIKey is BRFWAVIZIBIALS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,3)7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide?
2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide has a molecular weight of 157.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide is sourced from PubChem (CID 71755387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).