2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide

C16H17NO6 — CID 158439697

IUPAC2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccccc1O.O=C(O)c1ccccc1O
InChIInChI=1S/C9H11NO3.C7H6O3/c1-10(13-2)9(12)7-5-3-4-6-8(7)11;8-6-4-2-1-3-5(6)7(9)10/h3-6,11H,1-2H3;1-4,8H,(H,9,10)
InChIKeyHCQVPCVAHRHKNA-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.12
Rot. Bonds3

About 2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide

2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide (PubChem CID 158439697) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide
PubChem CID158439697
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccccc1O.O=C(O)c1ccccc1O
InChIInChI=1S/C9H11NO3.C7H6O3/c1-10(13-2)9(12)7-5-3-4-6-8(7)11;8-6-4-2-1-3-5(6)7(9)10/h3-6,11H,1-2H3;1-4,8H,(H,9,10)
InChIKeyHCQVPCVAHRHKNA-UHFFFAOYSA-N
XLogP2.12
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylmethanamine;2-hydroxybenzoic acid
CID 173188925
2,3-dihydroxy-N-methoxy-N-methylbenzamide
CID 114344880
2-hydroxybenzoic acid;methyl acetate
CID 157381538
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
3-amino-2-hydroxy-N-methoxy-N-methylbenzamide
CID 58735961
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;silver
CID 87326670

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide?
The IUPAC name of 2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide (CID 158439697) is 2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide?
The canonical SMILES for 2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccccc1O.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide?
The InChIKey is HCQVPCVAHRHKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.C7H6O3/c1-10(13-2)9(12)7-5-3-4-6-8(7)11;8-6-4-2-1-3-5(6)7(9)10/h3-6,11H,1-2H3;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide?
2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide has a molecular weight of 319.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 158439697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).