methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate

C16H15NO5 — CID 11438059

IUPACmethyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1NC(=O)c1ccccc1O
InChIInChI=1S/C16H15NO5/c1-21-10-7-8-11(16(20)22-2)13(9-10)17-15(19)12-5-3-4-6-14(12)18/h3-9,18H,1-2H3,(H,17,19)
InChIKeyBTFAZIPNJLVTAL-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.44
Rot. Bonds4

About methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate

methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate (PubChem CID 11438059) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate
PubChem CID11438059
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Namemethyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1NC(=O)c1ccccc1O
InChIInChI=1S/C16H15NO5/c1-21-10-7-8-11(16(20)22-2)13(9-10)17-15(19)12-5-3-4-6-14(12)18/h3-9,18H,1-2H3,(H,17,19)
InChIKeyBTFAZIPNJLVTAL-UHFFFAOYSA-N
XLogP2.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate?
The IUPAC name of methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate (CID 11438059) is methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1NC(=O)c1ccccc1O.
What is the InChIKey of methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate?
The InChIKey is BTFAZIPNJLVTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-21-10-7-8-11(16(20)22-2)13(9-10)17-15(19)12-5-3-4-6-14(12)18/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate?
methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate has a molecular weight of 301.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxybenzoyl)amino]-4-methoxybenzoate is sourced from PubChem (CID 11438059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).