N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide

C14H19NO3 — CID 103728984

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CC2(C)C)cc1O
InChIInChI=1S/C14H19NO3/c1-14(2)7-10(14)8-15-13(17)9-4-5-12(18-3)11(16)6-9/h4-6,10,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyOAVAPVZKXFSWJX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds4

About N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide

N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide (PubChem CID 103728984) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide
PubChem CID103728984
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CC2(C)C)cc1O
InChIInChI=1S/C14H19NO3/c1-14(2)7-10(14)8-15-13(17)9-4-5-12(18-3)11(16)6-9/h4-6,10,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyOAVAPVZKXFSWJX-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79725483
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
3-hydroxy-4-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738245
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114317315
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673447
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103728999
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
CID 79672650
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide
CID 79601075
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114758224

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide (CID 103728984) is N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCC2CC2(C)C)cc1O.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide?
The InChIKey is OAVAPVZKXFSWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2)7-10(14)8-15-13(17)9-4-5-12(18-3)11(16)6-9/h4-6,10,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide?
N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide has a molecular weight of 249.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 103728984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).