N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide

C9H17NO2 — CID 59515491

IUPACN-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@@H]1CO1)C(C)(C)C
InChIInChI=1S/C9H17NO2/c1-7(11)10(9(2,3)4)5-8-6-12-8/h8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyYFTSZYWNQVYVFR-MRVPVSSYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds2

About N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide

N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide (PubChem CID 59515491) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide
PubChem CID59515491
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@@H]1CO1)C(C)(C)C
InChIInChI=1S/C9H17NO2/c1-7(11)10(9(2,3)4)5-8-6-12-8/h8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyYFTSZYWNQVYVFR-MRVPVSSYSA-N
XLogP1.03
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide?
The IUPAC name of N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide (CID 59515491) is N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide?
The canonical SMILES for N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide is CC(=O)N(C[C@@H]1CO1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide?
The InChIKey is YFTSZYWNQVYVFR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(11)10(9(2,3)4)5-8-6-12-8/h8H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide?
N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide has a molecular weight of 171.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[[(2R)-oxiran-2-yl]methyl]acetamide is sourced from PubChem (CID 59515491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).