N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide

C20H21N3O4 — CID 11958486

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1CC
InChIInChI=1S/C20H21N3O4/c1-3-23-20(25-4-2)15-7-6-14(10-16(15)22-23)19(24)21-11-13-5-8-17-18(9-13)27-12-26-17/h5-10H,3-4,11-12H2,1-2H3,(H,21,24)
InChIKeyOUPKSZCDBCMSOB-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.11
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide (PubChem CID 11958486) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide
PubChem CID11958486
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1CC
InChIInChI=1S/C20H21N3O4/c1-3-23-20(25-4-2)15-7-6-14(10-16(15)22-23)19(24)21-11-13-5-8-17-18(9-13)27-12-26-17/h5-10H,3-4,11-12H2,1-2H3,(H,21,24)
InChIKeyOUPKSZCDBCMSOB-UHFFFAOYSA-N
XLogP3.11
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide (CID 11958486) is N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide is CCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1CC.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide?
The InChIKey is OUPKSZCDBCMSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-23-20(25-4-2)15-7-6-14(10-16(15)22-23)19(24)21-11-13-5-8-17-18(9-13)27-12-26-17/h5-10H,3-4,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-ethylindazole-6-carboxamide is sourced from PubChem (CID 11958486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).