2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide

C12H15NO3 — CID 114617408

IUPAC2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C12H15NO3/c1-8(2)7-13-12(15)10-5-4-9(16-3)6-11(10)14/h4-6,14H,1,7H2,2-3H3,(H,13,15)
InChIKeyFPDDZSPOATVNMF-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.71
Rot. Bonds4

About 2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide

2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide (PubChem CID 114617408) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
PubChem CID114617408
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C12H15NO3/c1-8(2)7-13-12(15)10-5-4-9(16-3)6-11(10)14/h4-6,14H,1,7H2,2-3H3,(H,13,15)
InChIKeyFPDDZSPOATVNMF-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 107723898
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 114144207
N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
CID 107261323
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676
2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 115302649
2-hydroxy-N-[(3-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 47292166
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide (CID 114617408) is 2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide is C=C(C)CNC(=O)c1ccc(OC)cc1O.
What is the InChIKey of 2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is FPDDZSPOATVNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(2)7-13-12(15)10-5-4-9(16-3)6-11(10)14/h4-6,14H,1,7H2,2-3H3,(H,13,15).
What are the key properties of 2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide?
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 221.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 114617408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).