N,2,6,6-tetramethylazepine-3-carboxamide

C11H16N2O — CID 142078574

IUPACN,2,6,6-tetramethylazepine-3-carboxamide
SMILESCNC(=O)C1=C(C)N=CC(C)(C)C=C1
InChIInChI=1S/C11H16N2O/c1-8-9(10(14)12-4)5-6-11(2,3)7-13-8/h5-7H,1-4H3,(H,12,14)
InChIKeyMEWJDXUUCPFFND-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.67
Rot. Bonds1

About N,2,6,6-tetramethylazepine-3-carboxamide

N,2,6,6-tetramethylazepine-3-carboxamide (PubChem CID 142078574) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N,2,6,6-tetramethylazepine-3-carboxamide.

Molecular Properties

Compound NameN,2,6,6-tetramethylazepine-3-carboxamide
PubChem CID142078574
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN,2,6,6-tetramethylazepine-3-carboxamide
SMILESCNC(=O)C1=C(C)N=CC(C)(C)C=C1
InChIInChI=1S/C11H16N2O/c1-8-9(10(14)12-4)5-6-11(2,3)7-13-8/h5-7H,1-4H3,(H,12,14)
InChIKeyMEWJDXUUCPFFND-UHFFFAOYSA-N
XLogP1.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,6,6-tetramethylazepine-3-carboxamide?
The IUPAC name of N,2,6,6-tetramethylazepine-3-carboxamide (CID 142078574) is N,2,6,6-tetramethylazepine-3-carboxamide.
What is the SMILES notation for N,2,6,6-tetramethylazepine-3-carboxamide?
The canonical SMILES for N,2,6,6-tetramethylazepine-3-carboxamide is CNC(=O)C1=C(C)N=CC(C)(C)C=C1.
What is the InChIKey of N,2,6,6-tetramethylazepine-3-carboxamide?
The InChIKey is MEWJDXUUCPFFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-9(10(14)12-4)5-6-11(2,3)7-13-8/h5-7H,1-4H3,(H,12,14).
What are the key properties of N,2,6,6-tetramethylazepine-3-carboxamide?
N,2,6,6-tetramethylazepine-3-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6,6-tetramethylazepine-3-carboxamide is sourced from PubChem (CID 142078574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).