N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride

C19H21ClN2O4 — CID 119421668

About N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride

N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119421668) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride
• PubChem CID: 119421668
• Molecular Formula: C19H21ClN2O4
• Molecular Weight: 376.84 g/mol
• Exact Mass: 376.12
• IUPAC Name: N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride
• SMILES: COc1ccc(N)c(NC(=O)C2CC2c2ccc3c(c2)OCCO3)c1.Cl
• InChI: InChI=1S/C19H20N2O4.ClH/c1-23-12-3-4-15(20)16(9-12)21-19(22)14-10-13(14)11-2-5-17-18(8-11)25-7-6-24-17;/h2-5,8-9,13-14H,6-7,10,20H2,1H3,(H,21,22);1H
• InChIKey: DSDGKLLVBSYNIU-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 82.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.84
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride?

The IUPAC name of N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride (CID 119421668) is N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride.

What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride?

The canonical SMILES for N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride is COc1ccc(N)c(NC(=O)C2CC2c2ccc3c(c2)OCCO3)c1.Cl.

What is the InChIKey of N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride?

The InChIKey is DSDGKLLVBSYNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4.ClH/c1-23-12-3-4-15(20)16(9-12)21-19(22)14-10-13(14)11-2-5-17-18(8-11)25-7-6-24-17;/h2-5,8-9,13-14H,6-7,10,20H2,1H3,(H,21,22);1H.

What are the key properties of N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride?

N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 376.84 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119421668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).