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

C14H20N2O4 — CID 103543338

IUPAC6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
SMILESCOCCN(C(=O)c1cc2c(cc1N)OCO2)C(C)C
InChIInChI=1S/C14H20N2O4/c1-9(2)16(4-5-18-3)14(17)10-6-12-13(7-11(10)15)20-8-19-12/h6-7,9H,4-5,8,15H2,1-3H3
InChIKeyWAYSGZWOKFUADI-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.49
Rot. Bonds5

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

6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide (PubChem CID 103543338) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
PubChem CID103543338
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
SMILESCOCCN(C(=O)c1cc2c(cc1N)OCO2)C(C)C
InChIInChI=1S/C14H20N2O4/c1-9(2)16(4-5-18-3)14(17)10-6-12-13(7-11(10)15)20-8-19-12/h6-7,9H,4-5,8,15H2,1-3H3
InChIKeyWAYSGZWOKFUADI-UHFFFAOYSA-N
XLogP1.49
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-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

Related Compounds

2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201
6-amino-N-(4-methoxybutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543193
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82950859
6-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 103543368
methyl 3-[(6-amino-1,3-benzodioxole-5-carbonyl)amino]-2-hydroxypropanoate
CID 107211617
6-amino-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzodioxole-5-carboxamide
CID 103543515
6-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 106152004
6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103542861
5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide
CID 82939321
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82937414
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960932
2-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methylbenzamide
CID 62508733

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide (CID 103543338) is 6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide is COCCN(C(=O)c1cc2c(cc1N)OCO2)C(C)C.
What is the InChIKey of 6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide?
The InChIKey is WAYSGZWOKFUADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)16(4-5-18-3)14(17)10-6-12-13(7-11(10)15)20-8-19-12/h6-7,9H,4-5,8,15H2,1-3H3.
What are the key properties of 6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide?
6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-methoxyethyl)-N-propan-2-yl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 103543338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).