2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide

C15H26N2O2 — CID 83029367

IUPAC2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide
SMILESCCC1(CC)CC(NC(=O)C(C)(C#N)CC)CCO1
InChIInChI=1S/C15H26N2O2/c1-5-14(4,11-16)13(18)17-12-8-9-19-15(6-2,7-3)10-12/h12H,5-10H2,1-4H3,(H,17,18)
InChIKeyNCEDRVWLBLSRQZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.78
Rot. Bonds5

About 2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide

2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide (PubChem CID 83029367) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide
PubChem CID83029367
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide
SMILESCCC1(CC)CC(NC(=O)C(C)(C#N)CC)CCO1
InChIInChI=1S/C15H26N2O2/c1-5-14(4,11-16)13(18)17-12-8-9-19-15(6-2,7-3)10-12/h12H,5-10H2,1-4H3,(H,17,18)
InChIKeyNCEDRVWLBLSRQZ-UHFFFAOYSA-N
XLogP2.78
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide?
The IUPAC name of 2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide (CID 83029367) is 2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide is CCC1(CC)CC(NC(=O)C(C)(C#N)CC)CCO1.
What is the InChIKey of 2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide?
The InChIKey is NCEDRVWLBLSRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-14(4,11-16)13(18)17-12-8-9-19-15(6-2,7-3)10-12/h12H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide?
2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide has a molecular weight of 266.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide is sourced from PubChem (CID 83029367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).