2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide

C12H17NO4 — CID 115410347

IUPAC2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide
SMILESCOc1ccc(O)c(C(=O)NOCC(C)C)c1
InChIInChI=1S/C12H17NO4/c1-8(2)7-17-13-12(15)10-6-9(16-3)4-5-11(10)14/h4-6,8,14H,7H2,1-3H3,(H,13,15)
InChIKeySGTQPCSTDKNQBA-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.72
Rot. Bonds5

About 2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide

2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide (PubChem CID 115410347) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide
PubChem CID115410347
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide
SMILESCOc1ccc(O)c(C(=O)NOCC(C)C)c1
InChIInChI=1S/C12H17NO4/c1-8(2)7-17-13-12(15)10-6-9(16-3)4-5-11(10)14/h4-6,8,14H,7H2,1-3H3,(H,13,15)
InChIKeySGTQPCSTDKNQBA-UHFFFAOYSA-N
XLogP1.72
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 113245854
N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 106180071
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798
N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 55102191
2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
CID 107859859
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
CID 95359062
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102
N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
CID 55207961
(2S)-2-[(2-hydroxy-5-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 61174665
N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 65041292

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide?
The IUPAC name of 2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide (CID 115410347) is 2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide.
What is the SMILES notation for 2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide?
The canonical SMILES for 2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide is COc1ccc(O)c(C(=O)NOCC(C)C)c1.
What is the InChIKey of 2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide?
The InChIKey is SGTQPCSTDKNQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(2)7-17-13-12(15)10-6-9(16-3)4-5-11(10)14/h4-6,8,14H,7H2,1-3H3,(H,13,15).
What are the key properties of 2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide?
2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide has a molecular weight of 239.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide is sourced from PubChem (CID 115410347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).