2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide

C12H15NO3 — CID 97180721

IUPAC2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NC[C@@H]1CO1
InChIInChI=1S/C12H15NO3/c1-2-15-11-6-4-3-5-10(11)12(14)13-7-9-8-16-9/h3-6,9H,2,7-8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyHUVGMYQKKUIUNZ-SECBINFHSA-N
MW221.26 g/mol
LogP1.21
Rot. Bonds5

About 2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide

2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide (PubChem CID 97180721) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide
PubChem CID97180721
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NC[C@@H]1CO1
InChIInChI=1S/C12H15NO3/c1-2-15-11-6-4-3-5-10(11)12(14)13-7-9-8-16-9/h3-6,9H,2,7-8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyHUVGMYQKKUIUNZ-SECBINFHSA-N
XLogP1.21
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide
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3-[(2-ethoxybenzoyl)amino]propanoic acid
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ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
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2-ethoxy-N-[(3-ethylpiperidin-2-yl)methyl]benzamide
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CID 142472938

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide (CID 97180721) is 2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide is CCOc1ccccc1C(=O)NC[C@@H]1CO1.
What is the InChIKey of 2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide?
The InChIKey is HUVGMYQKKUIUNZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-15-11-6-4-3-5-10(11)12(14)13-7-9-8-16-9/h3-6,9H,2,7-8H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of 2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide?
2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide has a molecular weight of 221.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide is sourced from PubChem (CID 97180721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).