N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide

C17H21N3O4 — CID 118782597

IUPACN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCOc1cc2c(cc1CNC(=O)CCc1ccnn1C)OCCO2
InChIInChI=1S/C17H21N3O4/c1-20-13(5-6-19-20)3-4-17(21)18-11-12-9-15-16(10-14(12)22-2)24-8-7-23-15/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,18,21)
InChIKeyRZJGEALEVBCSOZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.45
Rot. Bonds6

About N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 118782597) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID118782597
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCOc1cc2c(cc1CNC(=O)CCc1ccnn1C)OCCO2
InChIInChI=1S/C17H21N3O4/c1-20-13(5-6-19-20)3-4-17(21)18-11-12-9-15-16(10-14(12)22-2)24-8-7-23-15/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,18,21)
InChIKeyRZJGEALEVBCSOZ-UHFFFAOYSA-N
XLogP1.45
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121490
3-(2-methoxyphenyl)-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]propanamide
CID 110783484
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91776968
2-chloro-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide
CID 86810322
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 70716972
N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 74247536
2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide
CID 53046869
N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 131900391
(1S)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 125166903
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 131941993
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
CID 46969361
3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 30899209

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 118782597) is N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide is COc1cc2c(cc1CNC(=O)CCc1ccnn1C)OCCO2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is RZJGEALEVBCSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-20-13(5-6-19-20)3-4-17(21)18-11-12-9-15-16(10-14(12)22-2)24-8-7-23-15/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,18,21).
What are the key properties of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 331.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 118782597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).