N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide

C18H27NO — CID 84512216

IUPACN-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H27NO/c1-18(2,3)15-12-8-9-13-16(15)19(4)17(20)14-10-6-5-7-11-14/h8-9,12-14H,5-7,10-11H2,1-4H3
InChIKeyILSRWJDWHZGDGO-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.53
Rot. Bonds2

About N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide

N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide (PubChem CID 84512216) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide
PubChem CID84512216
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H27NO/c1-18(2,3)15-12-8-9-13-16(15)19(4)17(20)14-10-6-5-7-11-14/h8-9,12-14H,5-7,10-11H2,1-4H3
InChIKeyILSRWJDWHZGDGO-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 110667709
(2-tert-butylphenyl)-methylcarbamic acid
CID 142882517
N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide
CID 86681328
N-methyl-N-(2-methylphenyl)cyclopropanecarboxamide
CID 64593225
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069581
N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide
CID 139115648
N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide
CID 113094811
N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
1-(2-tert-butyl-N-methylanilino)propan-2-one
CID 117029491
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide
CID 113170454
N-(3-amino-4-pyridinyl)-N-methylcycloheptanecarboxamide
CID 62585945

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide (CID 84512216) is N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide is CN(C(=O)C1CCCCC1)c1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide?
The InChIKey is ILSRWJDWHZGDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2,3)15-12-8-9-13-16(15)19(4)17(20)14-10-6-5-7-11-14/h8-9,12-14H,5-7,10-11H2,1-4H3.
What are the key properties of N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide?
N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide has a molecular weight of 273.42 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 84512216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).