tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate

C14H25NO3 — CID 165468562

IUPACtert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate
SMILESCCCN(CC(=O)C1CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-5-9-15(13(17)18-14(2,3)4)10-12(16)11-7-6-8-11/h11H,5-10H2,1-4H3
InChIKeyIHGKTJWKOSDSFV-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.00
Rot. Bonds5

About tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate

tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate (PubChem CID 165468562) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate
PubChem CID165468562
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate
SMILESCCCN(CC(=O)C1CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-5-9-15(13(17)18-14(2,3)4)10-12(16)11-7-6-8-11/h11H,5-10H2,1-4H3
InChIKeyIHGKTJWKOSDSFV-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate?
The IUPAC name of tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate (CID 165468562) is tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate?
The canonical SMILES for tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate is CCCN(CC(=O)C1CCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate?
The InChIKey is IHGKTJWKOSDSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-9-15(13(17)18-14(2,3)4)10-12(16)11-7-6-8-11/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate?
tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate has a molecular weight of 255.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate is sourced from PubChem (CID 165468562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).