6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide

C15H20N2O3 — CID 103542917

IUPAC6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide
SMILESCCCCN(C(=O)c1cc2c(cc1N)OCO2)C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-3-6-17(10-4-5-10)15(18)11-7-13-14(8-12(11)16)20-9-19-13/h7-8,10H,2-6,9,16H2,1H3
InChIKeyYQYVJSUYJFLIOR-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.40
Rot. Bonds5

About 6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide

6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide (PubChem CID 103542917) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide
PubChem CID103542917
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide
SMILESCCCCN(C(=O)c1cc2c(cc1N)OCO2)C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-3-6-17(10-4-5-10)15(18)11-7-13-14(8-12(11)16)20-9-19-13/h7-8,10H,2-6,9,16H2,1H3
InChIKeyYQYVJSUYJFLIOR-UHFFFAOYSA-N
XLogP2.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
CID 60944357
6-amino-N-butyl-N-(2-hydroxyethyl)-1,3-benzodioxole-5-carboxamide
CID 103542913
3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide
CID 113386417
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
CID 103891986
1-(6-amino-1,3-benzodioxol-5-yl)-2-bromoethanone
CID 139571740
6-amino-N-(2-hydroxypentyl)-1,3-benzodioxole-5-carboxamide
CID 103543433
4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide
CID 81112858
2-ethylhexyl 6-amino-1,3-benzodioxole-5-carboxylate
CID 103543556
N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide
CID 65455448
6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103543140

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide (CID 103542917) is 6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide is CCCCN(C(=O)c1cc2c(cc1N)OCO2)C1CC1.
What is the InChIKey of 6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is YQYVJSUYJFLIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-3-6-17(10-4-5-10)15(18)11-7-13-14(8-12(11)16)20-9-19-13/h7-8,10H,2-6,9,16H2,1H3.
What are the key properties of 6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide?
6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 103542917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).