1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide

C17H30N2O2 — CID 122152344

IUPAC1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide
SMILESCC1(C)CC(NC(=O)C2CN(C3CCCCC3)C2)CCO1
InChIInChI=1S/C17H30N2O2/c1-17(2)10-14(8-9-21-17)18-16(20)13-11-19(12-13)15-6-4-3-5-7-15/h13-15H,3-12H2,1-2H3,(H,18,20)
InChIKeyZQPFFHIMUBLKGL-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.32
Rot. Bonds3

About 1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide

1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide (PubChem CID 122152344) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide
PubChem CID122152344
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide
SMILESCC1(C)CC(NC(=O)C2CN(C3CCCCC3)C2)CCO1
InChIInChI=1S/C17H30N2O2/c1-17(2)10-14(8-9-21-17)18-16(20)13-11-19(12-13)15-6-4-3-5-7-15/h13-15H,3-12H2,1-2H3,(H,18,20)
InChIKeyZQPFFHIMUBLKGL-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide (CID 122152344) is 1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide is CC1(C)CC(NC(=O)C2CN(C3CCCCC3)C2)CCO1.
What is the InChIKey of 1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide?
The InChIKey is ZQPFFHIMUBLKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-17(2)10-14(8-9-21-17)18-16(20)13-11-19(12-13)15-6-4-3-5-7-15/h13-15H,3-12H2,1-2H3,(H,18,20).
What are the key properties of 1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide?
1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 122152344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).