4-tert-butyl-N-cyclopropyloxane-4-carboxamide

C13H23NO2 — CID 140911436

IUPAC4-tert-butyl-N-cyclopropyloxane-4-carboxamide
SMILESCC(C)(C)C1(C(=O)NC2CC2)CCOCC1
InChIInChI=1S/C13H23NO2/c1-12(2,3)13(6-8-16-9-7-13)11(15)14-10-4-5-10/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyPBVIAHNIXPKWPM-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds2

About 4-tert-butyl-N-cyclopropyloxane-4-carboxamide

4-tert-butyl-N-cyclopropyloxane-4-carboxamide (PubChem CID 140911436) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-tert-butyl-N-cyclopropyloxane-4-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-cyclopropyloxane-4-carboxamide
PubChem CID140911436
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-tert-butyl-N-cyclopropyloxane-4-carboxamide
SMILESCC(C)(C)C1(C(=O)NC2CC2)CCOCC1
InChIInChI=1S/C13H23NO2/c1-12(2,3)13(6-8-16-9-7-13)11(15)14-10-4-5-10/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyPBVIAHNIXPKWPM-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-cyclopropyloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-cyclopropyloxane-4-carboxamide?
The IUPAC name of 4-tert-butyl-N-cyclopropyloxane-4-carboxamide (CID 140911436) is 4-tert-butyl-N-cyclopropyloxane-4-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-cyclopropyloxane-4-carboxamide?
The canonical SMILES for 4-tert-butyl-N-cyclopropyloxane-4-carboxamide is CC(C)(C)C1(C(=O)NC2CC2)CCOCC1.
What is the InChIKey of 4-tert-butyl-N-cyclopropyloxane-4-carboxamide?
The InChIKey is PBVIAHNIXPKWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2,3)13(6-8-16-9-7-13)11(15)14-10-4-5-10/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 4-tert-butyl-N-cyclopropyloxane-4-carboxamide?
4-tert-butyl-N-cyclopropyloxane-4-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-cyclopropyloxane-4-carboxamide is sourced from PubChem (CID 140911436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).