N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide

C15H20N2O6 — CID 108542972

IUPACN-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOCCOCC(=O)NCCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O6/c1-20-6-7-21-9-14(18)16-4-5-17-15(19)11-2-3-12-13(8-11)23-10-22-12/h2-3,8H,4-7,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyZFDIBHANQBKTEN-UHFFFAOYSA-N
MW324.33 g/mol
LogP-0.08
Rot. Bonds9

About N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 108542972) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID108542972
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC NameN-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOCCOCC(=O)NCCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O6/c1-20-6-7-21-9-14(18)16-4-5-17-15(19)11-2-3-12-13(8-11)23-10-22-12/h2-3,8H,4-7,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyZFDIBHANQBKTEN-UHFFFAOYSA-N
XLogP-0.08
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-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

N-[2-(3-methoxypropanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542767
N-[2-(4-oxopentanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542975
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-(2-bromo-3-methoxypropyl)-1,3-benzodioxole-5-carboxamide
CID 114309908
methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate;hydrochloride
CID 139769422
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113095660
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108539697
N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113099800
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
CID 108574844
[2-(3-methylbutylamino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883172
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide (CID 108542972) is N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide is COCCOCC(=O)NCCNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is ZFDIBHANQBKTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-20-6-7-21-9-14(18)16-4-5-17-15(19)11-2-3-12-13(8-11)23-10-22-12/h2-3,8H,4-7,9-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 324.33 g/mol, XLogP of -0.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 108542972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).