ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate

C20H21NO6 — CID 154242505

IUPACethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1OCC1CO1
InChIInChI=1S/C20H21NO6/c1-3-25-20(23)16-10-13(8-9-18(16)27-12-14-11-26-14)21-19(22)15-6-4-5-7-17(15)24-2/h4-10,14H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyGEQORLOEZSDDND-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.90
Rot. Bonds8

About ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate

ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate (PubChem CID 154242505) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate.

Molecular Properties

Compound Nameethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate
PubChem CID154242505
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Nameethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1OCC1CO1
InChIInChI=1S/C20H21NO6/c1-3-25-20(23)16-10-13(8-9-18(16)27-12-14-11-26-14)21-19(22)15-6-4-5-7-17(15)24-2/h4-10,14H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyGEQORLOEZSDDND-UHFFFAOYSA-N
XLogP2.90
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate
CID 13340119
ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507323
ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326534
N-(3-amino-4-ethoxyphenyl)-2-methoxybenzamide
CID 70635969
ethyl 5-(methoxymethoxy)-2-(oxiran-2-ylmethoxy)benzoate
CID 86623600
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
N-(4-amino-3-methoxyphenyl)-2-ethoxybenzamide
CID 61239481
ethyl 2-[[6-[(2-methoxybenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037000
ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate
CID 110443915
ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39849933
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide
CID 110732808
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate?
The IUPAC name of ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate (CID 154242505) is ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate.
What is the SMILES notation for ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate?
The canonical SMILES for ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate is CCOC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1OCC1CO1.
What is the InChIKey of ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate?
The InChIKey is GEQORLOEZSDDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-3-25-20(23)16-10-13(8-9-18(16)27-12-14-11-26-14)21-19(22)15-6-4-5-7-17(15)24-2/h4-10,14H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate?
ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate has a molecular weight of 371.39 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate is sourced from PubChem (CID 154242505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).