N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide

C17H25NO2 — CID 114550259

IUPACN-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NC2CCC(C)C2)c1
InChIInChI=1S/C17H25NO2/c1-12(2)11-20-16-6-4-5-14(10-16)17(19)18-15-8-7-13(3)9-15/h4-6,10,12-13,15H,7-9,11H2,1-3H3,(H,18,19)
InChIKeyHOOWDEOEUUQGGC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.64
Rot. Bonds5

About N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide

N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide (PubChem CID 114550259) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide
PubChem CID114550259
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NC2CCC(C)C2)c1
InChIInChI=1S/C17H25NO2/c1-12(2)11-20-16-6-4-5-14(10-16)17(19)18-15-8-7-13(3)9-15/h4-6,10,12-13,15H,7-9,11H2,1-3H3,(H,18,19)
InChIKeyHOOWDEOEUUQGGC-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
N-(2-adamantyl)-3-(2-methylpropoxy)benzamide
CID 893118
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide
CID 114630870
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide
CID 66007075
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
N-cyclopentyloxy-3-(2-methylpropoxy)benzamide
CID 83201941
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
trans-(1S,2R)-2-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108732264
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 21229720
N-cyclohexyl-3-propoxybenzamide
CID 4960053
N-(4-bromocyclohexyl)-3-propoxybenzamide
CID 114308980

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide (CID 114550259) is N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)NC2CCC(C)C2)c1.
What is the InChIKey of N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide?
The InChIKey is HOOWDEOEUUQGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)11-20-16-6-4-5-14(10-16)17(19)18-15-8-7-13(3)9-15/h4-6,10,12-13,15H,7-9,11H2,1-3H3,(H,18,19).
What are the key properties of N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide?
N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide has a molecular weight of 275.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 114550259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).