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

C18H23N3O3 — CID 90613816

IUPAC3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2ncc3c2CCCC3)cc1OC
InChIInChI=1S/C18H23N3O3/c1-23-16-8-7-13(11-17(16)24-2)18(22)19-9-10-21-15-6-4-3-5-14(15)12-20-21/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,22)
InChIKeyFOYDRBOXPIYHIP-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.21
Rot. Bonds6

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

3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (PubChem CID 90613816) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
PubChem CID90613816
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2ncc3c2CCCC3)cc1OC
InChIInChI=1S/C18H23N3O3/c1-23-16-8-7-13(11-17(16)24-2)18(22)19-9-10-21-15-6-4-3-5-14(15)12-20-21/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,22)
InChIKeyFOYDRBOXPIYHIP-UHFFFAOYSA-N
XLogP2.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613866
2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613867
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
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
3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide
CID 90613755
2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90613712
2,4-dichloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613838
3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716250
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 90613890
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (CID 90613816) is 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is COc1ccc(C(=O)NCCn2ncc3c2CCCC3)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The InChIKey is FOYDRBOXPIYHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-16-8-7-13(11-17(16)24-2)18(22)19-9-10-21-15-6-4-3-5-14(15)12-20-21/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,22).
What are the key properties of 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90613816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).