N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide

C19H20N2O5 — CID 119618105

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESNc1cc2c(cc1NC(=O)c1cccc(OCC3CCCO3)c1)OCO2
InChIInChI=1S/C19H20N2O5/c20-15-8-17-18(26-11-25-17)9-16(15)21-19(22)12-3-1-4-13(7-12)24-10-14-5-2-6-23-14/h1,3-4,7-9,14H,2,5-6,10-11,20H2,(H,21,22)
InChIKeyPPPRFMYFBNSEKL-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.81
Rot. Bonds5

About N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide

N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 119618105) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID119618105
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESNc1cc2c(cc1NC(=O)c1cccc(OCC3CCCO3)c1)OCO2
InChIInChI=1S/C19H20N2O5/c20-15-8-17-18(26-11-25-17)9-16(15)21-19(22)12-3-1-4-13(7-12)24-10-14-5-2-6-23-14/h1,3-4,7-9,14H,2,5-6,10-11,20H2,(H,21,22)
InChIKeyPPPRFMYFBNSEKL-UHFFFAOYSA-N
XLogP2.81
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide 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

N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119421992
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 46518741
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 78881332
6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide
CID 51964249
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 42939966
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
N-(3-hydroxy-2-pyridinyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30469054
N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119475074
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide (CID 119618105) is N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide is Nc1cc2c(cc1NC(=O)c1cccc(OCC3CCCO3)c1)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is PPPRFMYFBNSEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c20-15-8-17-18(26-11-25-17)9-16(15)21-19(22)12-3-1-4-13(7-12)24-10-14-5-2-6-23-14/h1,3-4,7-9,14H,2,5-6,10-11,20H2,(H,21,22).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide?
N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 356.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 119618105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).