N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide

C17H31NO2 — CID 20790253

IUPACN-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide
SMILESCC(C)(C)NC(=O)C(CC1CCC1)OCC1CCCC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)18-16(19)15(11-13-9-6-10-13)20-12-14-7-4-5-8-14/h13-15H,4-12H2,1-3H3,(H,18,19)
InChIKeyOUHXUHGWYMCCQN-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.67
Rot. Bonds6

About N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide

N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide (PubChem CID 20790253) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide
PubChem CID20790253
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide
SMILESCC(C)(C)NC(=O)C(CC1CCC1)OCC1CCCC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)18-16(19)15(11-13-9-6-10-13)20-12-14-7-4-5-8-14/h13-15H,4-12H2,1-3H3,(H,18,19)
InChIKeyOUHXUHGWYMCCQN-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide?
The IUPAC name of N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide (CID 20790253) is N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide.
What is the SMILES notation for N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide?
The canonical SMILES for N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide is CC(C)(C)NC(=O)C(CC1CCC1)OCC1CCCC1.
What is the InChIKey of N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide?
The InChIKey is OUHXUHGWYMCCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-17(2,3)18-16(19)15(11-13-9-6-10-13)20-12-14-7-4-5-8-14/h13-15H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide?
N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide has a molecular weight of 281.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide is sourced from PubChem (CID 20790253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).