N-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide

C17H33NO — CID 20790174

IUPACN-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)NC(=O)C(CCC1CCCC1)C(C)(C)C
InChIInChI=1S/C17H33NO/c1-16(2,3)14(15(19)18-17(4,5)6)12-11-13-9-7-8-10-13/h13-14H,7-12H2,1-6H3,(H,18,19)
InChIKeyKYRYAFKHVBBBRL-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.53
Rot. Bonds4

About N-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide

N-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide (PubChem CID 20790174) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide
PubChem CID20790174
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)NC(=O)C(CCC1CCCC1)C(C)(C)C
InChIInChI=1S/C17H33NO/c1-16(2,3)14(15(19)18-17(4,5)6)12-11-13-9-7-8-10-13/h13-14H,7-12H2,1-6H3,(H,18,19)
InChIKeyKYRYAFKHVBBBRL-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.53
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)-3,3-dimethylbutanamide?
The IUPAC name of N-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide (CID 20790174) is N-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide is CC(C)(C)NC(=O)C(CCC1CCCC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide?
The InChIKey is KYRYAFKHVBBBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-16(2,3)14(15(19)18-17(4,5)6)12-11-13-9-7-8-10-13/h13-14H,7-12H2,1-6H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide?
N-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide has a molecular weight of 267.46 g/mol, XLogP of 4.53, 4 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)-3,3-dimethylbutanamide is sourced from PubChem (CID 20790174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).