N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C15H20N2O3 — CID 114632329

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCC1(C)C(N)CC1NC(=O)c1cccc2c1OCCO2
InChIInChI=1S/C15H20N2O3/c1-15(2)11(16)8-12(15)17-14(18)9-4-3-5-10-13(9)20-7-6-19-10/h3-5,11-12H,6-8,16H2,1-2H3,(H,17,18)
InChIKeyPAOZXCSOGZMGKM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.31
Rot. Bonds2

About N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 114632329) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID114632329
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCC1(C)C(N)CC1NC(=O)c1cccc2c1OCCO2
InChIInChI=1S/C15H20N2O3/c1-15(2)11(16)8-12(15)17-14(18)9-4-3-5-10-13(9)20-7-6-19-10/h3-5,11-12H,6-8,16H2,1-2H3,(H,17,18)
InChIKeyPAOZXCSOGZMGKM-UHFFFAOYSA-N
XLogP1.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 114632329) is N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is CC1(C)C(N)CC1NC(=O)c1cccc2c1OCCO2.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is PAOZXCSOGZMGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2)11(16)8-12(15)17-14(18)9-4-3-5-10-13(9)20-7-6-19-10/h3-5,11-12H,6-8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 114632329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).