N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide

C21H22N2O4 — CID 113210161

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
SMILESCOc1ccc2[nH]cc(C(C)(C)C(=O)NCc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C21H22N2O4/c1-21(2,16-11-22-17-6-5-14(25-3)9-15(16)17)20(24)23-10-13-4-7-18-19(8-13)27-12-26-18/h4-9,11,22H,10,12H2,1-3H3,(H,23,24)
InChIKeyNBLCZUMCEBUEOM-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.50
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide (PubChem CID 113210161) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
PubChem CID113210161
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
SMILESCOc1ccc2[nH]cc(C(C)(C)C(=O)NCc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C21H22N2O4/c1-21(2,16-11-22-17-6-5-14(25-3)9-15(16)17)20(24)23-10-13-4-7-18-19(8-13)27-12-26-18/h4-9,11,22H,10,12H2,1-3H3,(H,23,24)
InChIKeyNBLCZUMCEBUEOM-UHFFFAOYSA-N
XLogP3.50
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide 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-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210143
2-(5-methoxy-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113210171
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
N-cyclopentyl-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210132
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108963134
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203962
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 112513932
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208047
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoroacetamide
CID 795667
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]urea
CID 125123129
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide
CID 4037055
N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethylbutanamide
CID 670795

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide (CID 113210161) is N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide is COc1ccc2[nH]cc(C(C)(C)C(=O)NCc3ccc4c(c3)OCO4)c2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is NBLCZUMCEBUEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-21(2,16-11-22-17-6-5-14(25-3)9-15(16)17)20(24)23-10-13-4-7-18-19(8-13)27-12-26-18/h4-9,11,22H,10,12H2,1-3H3,(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 366.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 113210161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).