ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate

C17H17NO6 — CID 18891724

IUPACethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2OC)c(=O)oc1C
InChIInChI=1S/C17H17NO6/c1-4-23-16(20)12-9-13(17(21)24-10(12)2)18-15(19)11-7-5-6-8-14(11)22-3/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyBQXSBUBJWPZTIE-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.39
Rot. Bonds5

About ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate

ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate (PubChem CID 18891724) has the molecular formula C17H17NO6 and a molecular weight of 331.32 g/mol. Its IUPAC name is ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate
PubChem CID18891724
Molecular FormulaC17H17NO6
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Nameethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2OC)c(=O)oc1C
InChIInChI=1S/C17H17NO6/c1-4-23-16(20)12-9-13(17(21)24-10(12)2)18-15(19)11-7-5-6-8-14(11)22-3/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyBQXSBUBJWPZTIE-UHFFFAOYSA-N
XLogP2.39
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682
ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507323
ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate
CID 110443915
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 110428281
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081
ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate
CID 1473621
ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39849933
N-(4-amino-2,5-diethoxyphenyl)-2-methoxybenzamide
CID 23464291
ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326534
ethyl 2-[[6-[(2-methoxybenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037000
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate
CID 154242505

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate?
The IUPAC name of ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate (CID 18891724) is ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate?
The canonical SMILES for ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate is CCOC(=O)c1cc(NC(=O)c2ccccc2OC)c(=O)oc1C.
What is the InChIKey of ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate?
The InChIKey is BQXSBUBJWPZTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6/c1-4-23-16(20)12-9-13(17(21)24-10(12)2)18-15(19)11-7-5-6-8-14(11)22-3/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate?
ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate has a molecular weight of 331.32 g/mol, XLogP of 2.39, 5 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-methyl-6-oxopyran-3-carboxylate is sourced from PubChem (CID 18891724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).