2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide

C19H25N3O4 — CID 90613867

IUPAC2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2ncc3c2CCCC3)c(OC)c1OC
InChIInChI=1S/C19H25N3O4/c1-24-16-9-8-14(17(25-2)18(16)26-3)19(23)20-10-11-22-15-7-5-4-6-13(15)12-21-22/h8-9,12H,4-7,10-11H2,1-3H3,(H,20,23)
InChIKeyJYCFRXNJDYGMSV-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.22
Rot. Bonds7

About 2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide

2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (PubChem CID 90613867) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
PubChem CID90613867
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2ncc3c2CCCC3)c(OC)c1OC
InChIInChI=1S/C19H25N3O4/c1-24-16-9-8-14(17(25-2)18(16)26-3)19(23)20-10-11-22-15-7-5-4-6-13(15)12-21-22/h8-9,12H,4-7,10-11H2,1-3H3,(H,20,23)
InChIKeyJYCFRXNJDYGMSV-UHFFFAOYSA-N
XLogP2.22
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide 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

3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613866
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613816
3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide
CID 90613755
2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613758
2,4-dichloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613838
2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90613712
2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 90613700
2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614840
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613849
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613992
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919240

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (CID 90613867) is 2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is COc1ccc(C(=O)NCCn2ncc3c2CCCC3)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The InChIKey is JYCFRXNJDYGMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-24-16-9-8-14(17(25-2)18(16)26-3)19(23)20-10-11-22-15-7-5-4-6-13(15)12-21-22/h8-9,12H,4-7,10-11H2,1-3H3,(H,20,23).
What are the key properties of 2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90613867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).