2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide

C17H26N2O4 — CID 122153419

IUPAC2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide
SMILESCC(C)(C)CNC(=O)c1cc(=O)cc(C(=O)NCC(C)(C)C)o1
InChIInChI=1S/C17H26N2O4/c1-16(2,3)9-18-14(21)12-7-11(20)8-13(23-12)15(22)19-10-17(4,5)6/h7-8H,9-10H2,1-6H3,(H,18,21)(H,19,22)
InChIKeyGGWWKBXVVJWKJL-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.19
Rot. Bonds4

About 2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide

2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide (PubChem CID 122153419) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide
PubChem CID122153419
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide
SMILESCC(C)(C)CNC(=O)c1cc(=O)cc(C(=O)NCC(C)(C)C)o1
InChIInChI=1S/C17H26N2O4/c1-16(2,3)9-18-14(21)12-7-11(20)8-13(23-12)15(22)19-10-17(4,5)6/h7-8H,9-10H2,1-6H3,(H,18,21)(H,19,22)
InChIKeyGGWWKBXVVJWKJL-UHFFFAOYSA-N
XLogP2.19
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide (CID 122153419) is 2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide is CC(C)(C)CNC(=O)c1cc(=O)cc(C(=O)NCC(C)(C)C)o1.
What is the InChIKey of 2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide?
The InChIKey is GGWWKBXVVJWKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-16(2,3)9-18-14(21)12-7-11(20)8-13(23-12)15(22)19-10-17(4,5)6/h7-8H,9-10H2,1-6H3,(H,18,21)(H,19,22).
What are the key properties of 2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide?
2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(2,2-dimethylpropyl)-4-oxopyran-2,6-dicarboxamide is sourced from PubChem (CID 122153419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).