N-cyclobutyl-4-methoxy-3-methylbenzamide

C13H17NO2 — CID 121342416

IUPACN-cyclobutyl-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)NC2CCC2)cc1C
InChIInChI=1S/C13H17NO2/c1-9-8-10(6-7-12(9)16-2)13(15)14-11-4-3-5-11/h6-8,11H,3-5H2,1-2H3,(H,14,15)
InChIKeyMGVJSCLFJLLVCZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.29
Rot. Bonds3

About N-cyclobutyl-4-methoxy-3-methylbenzamide

N-cyclobutyl-4-methoxy-3-methylbenzamide (PubChem CID 121342416) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-cyclobutyl-4-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-methoxy-3-methylbenzamide
PubChem CID121342416
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-cyclobutyl-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)NC2CCC2)cc1C
InChIInChI=1S/C13H17NO2/c1-9-8-10(6-7-12(9)16-2)13(15)14-11-4-3-5-11/h6-8,11H,3-5H2,1-2H3,(H,14,15)
InChIKeyMGVJSCLFJLLVCZ-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclobutyl-4-iodo-3-methoxybenzamide
CID 155908714
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-cyclopentyl-4-iodo-3-methoxybenzamide
CID 155908716
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-methoxy-3-methylbenzamide?
The IUPAC name of N-cyclobutyl-4-methoxy-3-methylbenzamide (CID 121342416) is N-cyclobutyl-4-methoxy-3-methylbenzamide.
What is the SMILES notation for N-cyclobutyl-4-methoxy-3-methylbenzamide?
The canonical SMILES for N-cyclobutyl-4-methoxy-3-methylbenzamide is COc1ccc(C(=O)NC2CCC2)cc1C.
What is the InChIKey of N-cyclobutyl-4-methoxy-3-methylbenzamide?
The InChIKey is MGVJSCLFJLLVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-8-10(6-7-12(9)16-2)13(15)14-11-4-3-5-11/h6-8,11H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-cyclobutyl-4-methoxy-3-methylbenzamide?
N-cyclobutyl-4-methoxy-3-methylbenzamide has a molecular weight of 219.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-methoxy-3-methylbenzamide is sourced from PubChem (CID 121342416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).