2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene

C18H28N2O3 — CID 143881582

IUPAC2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene
SMILESCC(=O)NC(C(=O)NCC1CO1)C(C)(C)C.Cc1ccccc1
InChIInChI=1S/C11H20N2O3.C7H8/c1-7(14)13-9(11(2,3)4)10(15)12-5-8-6-16-8;1-7-5-3-2-4-6-7/h8-9H,5-6H2,1-4H3,(H,12,15)(H,13,14);2-6H,1H3
InChIKeyCWFCTLTVSSVVIS-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.05
Rot. Bonds4

About 2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene

2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene (PubChem CID 143881582) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene.

Molecular Properties

Compound Name2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene
PubChem CID143881582
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene
SMILESCC(=O)NC(C(=O)NCC1CO1)C(C)(C)C.Cc1ccccc1
InChIInChI=1S/C11H20N2O3.C7H8/c1-7(14)13-9(11(2,3)4)10(15)12-5-8-6-16-8;1-7-5-3-2-4-6-7/h8-9H,5-6H2,1-4H3,(H,12,15)(H,13,14);2-6H,1H3
InChIKeyCWFCTLTVSSVVIS-UHFFFAOYSA-N
XLogP2.05
TPSA70.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide
CID 53364150
N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide
CID 97180818
(2R)-2-acetamido-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylbutanamide
CID 41012966
4-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzamide
CID 97180653
2-methyl-N-(oxiran-2-ylmethyl)propanamide
CID 102548474
N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
CID 131846680
(2S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 35513996
oxiran-2-ylmethanesulfonic acid;toluene
CID 174811658
(2R)-2-(1,4-dioxan-2-ylmethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927678
2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide
CID 71755387
N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
CID 97180854
N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide
CID 144993930

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene?
The IUPAC name of 2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene (CID 143881582) is 2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene.
What is the SMILES notation for 2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene?
The canonical SMILES for 2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene is CC(=O)NC(C(=O)NCC1CO1)C(C)(C)C.Cc1ccccc1.
What is the InChIKey of 2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene?
The InChIKey is CWFCTLTVSSVVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.C7H8/c1-7(14)13-9(11(2,3)4)10(15)12-5-8-6-16-8;1-7-5-3-2-4-6-7/h8-9H,5-6H2,1-4H3,(H,12,15)(H,13,14);2-6H,1H3.
What are the key properties of 2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene?
2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene has a molecular weight of 320.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3,3-dimethyl-N-(oxiran-2-ylmethyl)butanamide;toluene is sourced from PubChem (CID 143881582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).