N-tert-butyl-3-cyclobutyl-2-propoxypropanamide

C14H27NO2 — CID 20790256

IUPACN-tert-butyl-3-cyclobutyl-2-propoxypropanamide
SMILESCCCOC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyAWPWSDXPOUFEQH-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds6

About N-tert-butyl-3-cyclobutyl-2-propoxypropanamide

N-tert-butyl-3-cyclobutyl-2-propoxypropanamide (PubChem CID 20790256) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-tert-butyl-3-cyclobutyl-2-propoxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclobutyl-2-propoxypropanamide
PubChem CID20790256
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-tert-butyl-3-cyclobutyl-2-propoxypropanamide
SMILESCCCOC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyAWPWSDXPOUFEQH-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
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-propoxypropanamide?
The IUPAC name of N-tert-butyl-3-cyclobutyl-2-propoxypropanamide (CID 20790256) is N-tert-butyl-3-cyclobutyl-2-propoxypropanamide.
What is the SMILES notation for N-tert-butyl-3-cyclobutyl-2-propoxypropanamide?
The canonical SMILES for N-tert-butyl-3-cyclobutyl-2-propoxypropanamide is CCCOC(CC1CCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclobutyl-2-propoxypropanamide?
The InChIKey is AWPWSDXPOUFEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4/h11-12H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-tert-butyl-3-cyclobutyl-2-propoxypropanamide?
N-tert-butyl-3-cyclobutyl-2-propoxypropanamide has a molecular weight of 241.37 g/mol, XLogP of 2.89, 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-propoxypropanamide is sourced from PubChem (CID 20790256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).