ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate

C19H19NO5 — CID 13340119

IUPACethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2)ccc1OCC1CO1
InChIInChI=1S/C19H19NO5/c1-2-23-19(22)16-10-14(8-9-17(16)25-12-15-11-24-15)20-18(21)13-6-4-3-5-7-13/h3-10,15H,2,11-12H2,1H3,(H,20,21)
InChIKeyVKSZFXFMGVXMFP-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.89
Rot. Bonds7

About ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate

ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate (PubChem CID 13340119) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate.

Molecular Properties

Compound Nameethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate
PubChem CID13340119
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Nameethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2)ccc1OCC1CO1
InChIInChI=1S/C19H19NO5/c1-2-23-19(22)16-10-14(8-9-17(16)25-12-15-11-24-15)20-18(21)13-6-4-3-5-7-13/h3-10,15H,2,11-12H2,1H3,(H,20,21)
InChIKeyVKSZFXFMGVXMFP-UHFFFAOYSA-N
XLogP2.89
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate
CID 154242505
ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate
CID 86623600
ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate
CID 13473060
N-(4-ethoxy-3,5-dimethylphenyl)benzamide
CID 13343221
N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
CID 114302965
ethyl 6-benzamido-4-oxochromene-2-carboxylate
CID 22471894
ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
CID 28573562
ethyl 2-ethoxy-5-[[4-methyl-2-(2-methylpropyl)-2-propoxypentanoyl]amino]benzoate
CID 100765542
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
CID 17234910
N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 18103402
N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide
CID 141041988

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate?
The IUPAC name of ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate (CID 13340119) is ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate.
What is the SMILES notation for ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate?
The canonical SMILES for ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate is CCOC(=O)c1cc(NC(=O)c2ccccc2)ccc1OCC1CO1.
What is the InChIKey of ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate?
The InChIKey is VKSZFXFMGVXMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-2-23-19(22)16-10-14(8-9-17(16)25-12-15-11-24-15)20-18(21)13-6-4-3-5-7-13/h3-10,15H,2,11-12H2,1H3,(H,20,21).
What are the key properties of ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate?
ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate has a molecular weight of 341.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate is sourced from PubChem (CID 13340119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).