6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide

C14H20N2O3 — CID 103543392

IUPAC6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(NC(=O)c1cc2c(cc1N)OCO2)C(C)(C)C
InChIInChI=1S/C14H20N2O3/c1-8(14(2,3)4)16-13(17)9-5-11-12(6-10(9)15)19-7-18-11/h5-6,8H,7,15H2,1-4H3,(H,16,17)
InChIKeyOZSWFOMRKFMNOK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.16
Rot. Bonds2

About 6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide

6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 103543392) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID103543392
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(NC(=O)c1cc2c(cc1N)OCO2)C(C)(C)C
InChIInChI=1S/C14H20N2O3/c1-8(14(2,3)4)16-13(17)9-5-11-12(6-10(9)15)19-7-18-11/h5-6,8H,7,15H2,1-4H3,(H,16,17)
InChIKeyOZSWFOMRKFMNOK-UHFFFAOYSA-N
XLogP2.16
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(4-methoxybutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543193
6-amino-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543416
6-amino-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzodioxole-5-carboxamide
CID 103543515
6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide
CID 103543073
6-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543329
6-amino-N-(1-hydroxypentan-3-yl)-1,3-benzodioxole-5-carboxamide
CID 103543432
6-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 106095397
2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 104829925
6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103542861
6-amino-N-(2-methyl-2-methylsulfonylpropyl)-1,3-benzodioxole-5-carboxamide
CID 103543266
6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 103543064
6-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 106152004

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide (CID 103543392) is 6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide is CC(NC(=O)c1cc2c(cc1N)OCO2)C(C)(C)C.
What is the InChIKey of 6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is OZSWFOMRKFMNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8(14(2,3)4)16-13(17)9-5-11-12(6-10(9)15)19-7-18-11/h5-6,8H,7,15H2,1-4H3,(H,16,17).
What are the key properties of 6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide?
6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3,3-dimethylbutan-2-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 103543392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).