[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate

C18H17NO6 — CID 2631438

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1cccc(C)c1O
InChIInChI=1S/C18H17NO6/c1-11-6-5-8-13(16(11)21)18(23)25-10-15(20)19-17(22)12-7-3-4-9-14(12)24-2/h3-9,21H,10H2,1-2H3,(H,19,20,22)
InChIKeyWOVQMTIXVYMCNT-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.82
Rot. Bonds5

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 2631438) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID2631438
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1cccc(C)c1O
InChIInChI=1S/C18H17NO6/c1-11-6-5-8-13(16(11)21)18(23)25-10-15(20)19-17(22)12-7-3-4-9-14(12)24-2/h3-9,21H,10H2,1-2H3,(H,19,20,22)
InChIKeyWOVQMTIXVYMCNT-UHFFFAOYSA-N
XLogP1.82
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 2631438) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate is COc1ccccc1C(=O)NC(=O)COC(=O)c1cccc(C)c1O.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is WOVQMTIXVYMCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-11-6-5-8-13(16(11)21)18(23)25-10-15(20)19-17(22)12-7-3-4-9-14(12)24-2/h3-9,21H,10H2,1-2H3,(H,19,20,22).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 343.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 2631438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).