N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide

C18H35NO — CID 20790176

IUPACN-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CCC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H35NO/c1-17(2,3)13-15(16(20)19-18(4,5)6)12-11-14-9-7-8-10-14/h14-15H,7-13H2,1-6H3,(H,19,20)
InChIKeyNJQSMUWNOHYTBK-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.92
Rot. Bonds5

About N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide

N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide (PubChem CID 20790176) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide
PubChem CID20790176
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CCC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H35NO/c1-17(2,3)13-15(16(20)19-18(4,5)6)12-11-14-9-7-8-10-14/h14-15H,7-13H2,1-6H3,(H,19,20)
InChIKeyNJQSMUWNOHYTBK-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide?
The IUPAC name of N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide (CID 20790176) is N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide?
The canonical SMILES for N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide is CC(C)(C)CC(CCC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide?
The InChIKey is NJQSMUWNOHYTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-17(2,3)13-15(16(20)19-18(4,5)6)12-11-14-9-7-8-10-14/h14-15H,7-13H2,1-6H3,(H,19,20).
What are the key properties of N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide?
N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide has a molecular weight of 281.48 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 20790176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).