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4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide

C14H20N2O2 — CID 116521105

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide
SMILESCC1(C)CCC(CNc2ccc(C(N)=O)cc2)O1
InChIInChI=1S/C14H20N2O2/c1-14(2)8-7-12(18-14)9-16-11-5-3-10(4-6-11)13(15)17/h3-6,12,16H,7-9H2,1-2H3,(H2,15,17)
InChIKeyFUMDZOBPBCNVEO-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.15
Rot. Bonds4

About 4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide

4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide (PubChem CID 116521105) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide
PubChem CID116521105
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide
SMILESCC1(C)CCC(CNc2ccc(C(N)=O)cc2)O1
InChIInChI=1S/C14H20N2O2/c1-14(2)8-7-12(18-14)9-16-11-5-3-10(4-6-11)13(15)17/h3-6,12,16H,7-9H2,1-2H3,(H2,15,17)
InChIKeyFUMDZOBPBCNVEO-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide?
The IUPAC name of 4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide (CID 116521105) is 4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide?
The canonical SMILES for 4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide is CC1(C)CCC(CNc2ccc(C(N)=O)cc2)O1.
What is the InChIKey of 4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide?
The InChIKey is FUMDZOBPBCNVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)8-7-12(18-14)9-16-11-5-3-10(4-6-11)13(15)17/h3-6,12,16H,7-9H2,1-2H3,(H2,15,17).
What are the key properties of 4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide?
4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide has a molecular weight of 248.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide is sourced from PubChem (CID 116521105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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