N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide

C18H33NO — CID 20790205

IUPACN-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide
SMILESCC(C)(C)NC(=O)C(CCC1CCCC1)CC1CCC1
InChIInChI=1S/C18H33NO/c1-18(2,3)19-17(20)16(13-15-9-6-10-15)12-11-14-7-4-5-8-14/h14-16H,4-13H2,1-3H3,(H,19,20)
InChIKeyCPUZIGBKNKGQES-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.68
Rot. Bonds6

About N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide

N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide (PubChem CID 20790205) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide
PubChem CID20790205
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide
SMILESCC(C)(C)NC(=O)C(CCC1CCCC1)CC1CCC1
InChIInChI=1S/C18H33NO/c1-18(2,3)19-17(20)16(13-15-9-6-10-15)12-11-14-7-4-5-8-14/h14-16H,4-13H2,1-3H3,(H,19,20)
InChIKeyCPUZIGBKNKGQES-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.68
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-(cyclobutylmethyl)-4-cyclopentylbutanamide?
The IUPAC name of N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide (CID 20790205) is N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide.
What is the SMILES notation for N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide?
The canonical SMILES for N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide is CC(C)(C)NC(=O)C(CCC1CCCC1)CC1CCC1.
What is the InChIKey of N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide?
The InChIKey is CPUZIGBKNKGQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-18(2,3)19-17(20)16(13-15-9-6-10-15)12-11-14-7-4-5-8-14/h14-16H,4-13H2,1-3H3,(H,19,20).
What are the key properties of N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide?
N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide has a molecular weight of 279.47 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide is sourced from PubChem (CID 20790205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).