7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide

C25H31N3O3 — CID 110201072

IUPAC7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc4c(c3)C(O)CCCCCN4C)c2c1
InChIInChI=1S/C25H31N3O3/c1-28-13-5-3-4-6-24(29)21-14-17(7-10-23(21)28)25(30)26-12-11-18-16-27-22-9-8-19(31-2)15-20(18)22/h7-10,14-16,24,27,29H,3-6,11-13H2,1-2H3,(H,26,30)
InChIKeySMUKHYITZHEIMW-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.19
Rot. Bonds5

About 7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide

7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide (PubChem CID 110201072) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
PubChem CID110201072
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc4c(c3)C(O)CCCCCN4C)c2c1
InChIInChI=1S/C25H31N3O3/c1-28-13-5-3-4-6-24(29)21-14-17(7-10-23(21)28)25(30)26-12-11-18-16-27-22-9-8-19(31-2)15-20(18)22/h7-10,14-16,24,27,29H,3-6,11-13H2,1-2H3,(H,26,30)
InChIKeySMUKHYITZHEIMW-UHFFFAOYSA-N
XLogP4.19
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide with MolForge

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Related Compounds

3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
7-hydroxy-1-methyl-N-(3-phenylpropyl)-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
CID 110201053
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7068767
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 53010729
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72928968
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 71706139
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146046453
2-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 93153288
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide?
The IUPAC name of 7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide (CID 110201072) is 7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide.
What is the SMILES notation for 7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide?
The canonical SMILES for 7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide is COc1ccc2[nH]cc(CCNC(=O)c3ccc4c(c3)C(O)CCCCCN4C)c2c1.
What is the InChIKey of 7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide?
The InChIKey is SMUKHYITZHEIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-28-13-5-3-4-6-24(29)21-14-17(7-10-23(21)28)25(30)26-12-11-18-16-27-22-9-8-19(31-2)15-20(18)22/h7-10,14-16,24,27,29H,3-6,11-13H2,1-2H3,(H,26,30).
What are the key properties of 7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide?
7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide is sourced from PubChem (CID 110201072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).