N-(2-tert-butylcyclohexyl)-3-methoxybenzamide

C18H27NO2 — CID 17146888

IUPACN-(2-tert-butylcyclohexyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCCCC2C(C)(C)C)c1
InChIInChI=1S/C18H27NO2/c1-18(2,3)15-10-5-6-11-16(15)19-17(20)13-8-7-9-14(12-13)21-4/h7-9,12,15-16H,5-6,10-11H2,1-4H3,(H,19,20)
InChIKeyIJUNZVHXXKOABD-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.03
Rot. Bonds3

About N-(2-tert-butylcyclohexyl)-3-methoxybenzamide

N-(2-tert-butylcyclohexyl)-3-methoxybenzamide (PubChem CID 17146888) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-3-methoxybenzamide
PubChem CID17146888
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(2-tert-butylcyclohexyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCCCC2C(C)(C)C)c1
InChIInChI=1S/C18H27NO2/c1-18(2,3)15-10-5-6-11-16(15)19-17(20)13-8-7-9-14(12-13)21-4/h7-9,12,15-16H,5-6,10-11H2,1-4H3,(H,19,20)
InChIKeyIJUNZVHXXKOABD-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-[(1S,2S)-2-tert-butylcyclohexyl]-3-methylsulfonylbenzamide
CID 39634709
N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide
CID 110279269
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide
CID 110128022
3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457504
4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide
CID 43699383
N-(2-tert-butylcyclohexyl)-4-iodobenzamide
CID 63525981
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
CID 119609171
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364
tert-butyl (3S,4R)-3-methoxy-4-[(3-methoxybenzoyl)amino]pyrrolidine-1-carboxylate
CID 97071931
3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide
CID 107999351

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-3-methoxybenzamide?
The IUPAC name of N-(2-tert-butylcyclohexyl)-3-methoxybenzamide (CID 17146888) is N-(2-tert-butylcyclohexyl)-3-methoxybenzamide.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-3-methoxybenzamide?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-3-methoxybenzamide is COc1cccc(C(=O)NC2CCCCC2C(C)(C)C)c1.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-3-methoxybenzamide?
The InChIKey is IJUNZVHXXKOABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)15-10-5-6-11-16(15)19-17(20)13-8-7-9-14(12-13)21-4/h7-9,12,15-16H,5-6,10-11H2,1-4H3,(H,19,20).
What are the key properties of N-(2-tert-butylcyclohexyl)-3-methoxybenzamide?
N-(2-tert-butylcyclohexyl)-3-methoxybenzamide has a molecular weight of 289.42 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-3-methoxybenzamide is sourced from PubChem (CID 17146888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).