4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide

C14H25NO2 — CID 140911431

IUPAC4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide
SMILESCC(C)(C)C1(C(=O)NCC2CC2)CCOCC1
InChIInChI=1S/C14H25NO2/c1-13(2,3)14(6-8-17-9-7-14)12(16)15-10-11-4-5-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyVARRONHLCZVUPB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.36
Rot. Bonds3

About 4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide

4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide (PubChem CID 140911431) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide
PubChem CID140911431
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide
SMILESCC(C)(C)C1(C(=O)NCC2CC2)CCOCC1
InChIInChI=1S/C14H25NO2/c1-13(2,3)14(6-8-17-9-7-14)12(16)15-10-11-4-5-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyVARRONHLCZVUPB-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide (CID 140911431) is 4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide is CC(C)(C)C1(C(=O)NCC2CC2)CCOCC1.
What is the InChIKey of 4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide?
The InChIKey is VARRONHLCZVUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2,3)14(6-8-17-9-7-14)12(16)15-10-11-4-5-11/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide?
4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 140911431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).