2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide

C18H27NO — CID 114550285

IUPAC2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2ccccc2C(C)(C)C)C1
InChIInChI=1S/C18H27NO/c1-17(2,3)15-9-7-6-8-14(15)16(20)19-13-10-11-18(4,5)12-13/h6-9,13H,10-12H2,1-5H3,(H,19,20)
InChIKeyPCDIYSDWPQFJKK-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.29
Rot. Bonds2

About 2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide

2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide (PubChem CID 114550285) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide
PubChem CID114550285
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2ccccc2C(C)(C)C)C1
InChIInChI=1S/C18H27NO/c1-17(2,3)15-9-7-6-8-14(15)16(20)19-13-10-11-18(4,5)12-13/h6-9,13H,10-12H2,1-5H3,(H,19,20)
InChIKeyPCDIYSDWPQFJKK-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide
CID 114550457
N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide
CID 113345445
N-(3,3-dimethylcyclopentyl)-4-methylthiophene-3-carboxamide
CID 115881864
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide
CID 105381670
N-(3,3-dimethylcyclopentyl)-2-(2-hydroxyphenyl)acetamide
CID 113345738
N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide
CID 114540826
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 114550590
N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 164630158
N-(3,3-dimethylcyclopentyl)-2-hydroxy-4-methoxybenzamide
CID 115881718
N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 114550317

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide?
The IUPAC name of 2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide (CID 114550285) is 2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide.
What is the SMILES notation for 2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide?
The canonical SMILES for 2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide is CC1(C)CCC(NC(=O)c2ccccc2C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide?
The InChIKey is PCDIYSDWPQFJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2,3)15-9-7-6-8-14(15)16(20)19-13-10-11-18(4,5)12-13/h6-9,13H,10-12H2,1-5H3,(H,19,20).
What are the key properties of 2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide?
2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide has a molecular weight of 273.42 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide is sourced from PubChem (CID 114550285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).