2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide

C14H20N2O4 — CID 60647411

IUPAC2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O4/c1-18-6-2-5-16-14(17)9-15-8-11-3-4-12-13(7-11)20-10-19-12/h3-4,7,15H,2,5-6,8-10H2,1H3,(H,16,17)
InChIKeyVFGRQSCVNCQCDW-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.66
Rot. Bonds8

About 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide

2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide (PubChem CID 60647411) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide
PubChem CID60647411
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O4/c1-18-6-2-5-16-14(17)9-15-8-11-3-4-12-13(7-11)20-10-19-12/h3-4,7,15H,2,5-6,8-10H2,1H3,(H,16,17)
InChIKeyVFGRQSCVNCQCDW-UHFFFAOYSA-N
XLogP0.66
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide 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-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995204
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-phenylpropyl)acetamide
CID 108998701
2-(1,3-benzodioxol-5-ylamino)-N-(3-methoxypropyl)acetamide
CID 60646621
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 51200052
2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide
CID 60720069
methyl 2-(1,3-benzodioxol-5-ylmethylamino)acetate;hydrochloride
CID 69314865
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103588
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60647375
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997703
2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 107230510
2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 61486434
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide (CID 60647411) is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide?
The InChIKey is VFGRQSCVNCQCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-18-6-2-5-16-14(17)9-15-8-11-3-4-12-13(7-11)20-10-19-12/h3-4,7,15H,2,5-6,8-10H2,1H3,(H,16,17).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide?
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide has a molecular weight of 280.32 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 60647411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).