N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide

C18H20N2O4 — CID 109022229

IUPACN-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccccc1CNCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O4/c1-22-15-5-3-2-4-13(15)11-19-9-8-18(21)20-14-6-7-16-17(10-14)24-12-23-16/h2-7,10,19H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyASYWDLAHHVXLSC-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.54
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide

N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide (PubChem CID 109022229) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
PubChem CID109022229
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccccc1CNCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O4/c1-22-15-5-3-2-4-13(15)11-19-9-8-18(21)20-14-6-7-16-17(10-14)24-12-23-16/h2-7,10,19H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyASYWDLAHHVXLSC-UHFFFAOYSA-N
XLogP2.54
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide 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-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022230
N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022256
2-(1,3-benzodioxol-5-ylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 108998484
N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide
CID 109017161
N-(1,3-benzodioxol-5-yl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962983
1-(1,3-benzodioxol-5-yl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971485
N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide
CID 2082414
N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide
CID 109040174
ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate
CID 109022233
N-(1,3-benzodioxol-5-yl)-3-(pentylamino)propanamide
CID 109032303
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 110370718
2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113173267

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide (CID 109022229) is N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide is COc1ccccc1CNCCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide?
The InChIKey is ASYWDLAHHVXLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-22-15-5-3-2-4-13(15)11-19-9-8-18(21)20-14-6-7-16-17(10-14)24-12-23-16/h2-7,10,19H,8-9,11-12H2,1H3,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide has a molecular weight of 328.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 109022229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).