4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide

C12H20N2O3 — CID 115619331

IUPAC4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide
SMILESCOCC(C)(C)NC(=O)C1(C#N)CCOCC1
InChIInChI=1S/C12H20N2O3/c1-11(2,9-16-3)14-10(15)12(8-13)4-6-17-7-5-12/h4-7,9H2,1-3H3,(H,14,15)
InChIKeyDSOOWETZALQHGP-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.85
Rot. Bonds4

About 4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide

4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide (PubChem CID 115619331) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide
PubChem CID115619331
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide
SMILESCOCC(C)(C)NC(=O)C1(C#N)CCOCC1
InChIInChI=1S/C12H20N2O3/c1-11(2,9-16-3)14-10(15)12(8-13)4-6-17-7-5-12/h4-7,9H2,1-3H3,(H,14,15)
InChIKeyDSOOWETZALQHGP-UHFFFAOYSA-N
XLogP0.85
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide (CID 115619331) is 4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide is COCC(C)(C)NC(=O)C1(C#N)CCOCC1.
What is the InChIKey of 4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide?
The InChIKey is DSOOWETZALQHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-11(2,9-16-3)14-10(15)12(8-13)4-6-17-7-5-12/h4-7,9H2,1-3H3,(H,14,15).
What are the key properties of 4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide?
4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 115619331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).