3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide

C21H22N2O3 — CID 2107760

IUPAC3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3[nH]c4c(c3c2)CCCC4)cc1OC
InChIInChI=1S/C21H22N2O3/c1-25-19-10-7-13(11-20(19)26-2)21(24)22-14-8-9-18-16(12-14)15-5-3-4-6-17(15)23-18/h7-12,23H,3-6H2,1-2H3,(H,22,24)
InChIKeyOJHYXEDNJXCIDI-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.32
Rot. Bonds4

About 3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide

3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide (PubChem CID 2107760) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide
PubChem CID2107760
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3[nH]c4c(c3c2)CCCC4)cc1OC
InChIInChI=1S/C21H22N2O3/c1-25-19-10-7-13(11-20(19)26-2)21(24)22-14-8-9-18-16(12-14)15-5-3-4-6-17(15)23-18/h7-12,23H,3-6H2,1-2H3,(H,22,24)
InChIKeyOJHYXEDNJXCIDI-UHFFFAOYSA-N
XLogP4.32
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide
CID 90958377
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27252931
N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27258967
2-methylsulfanyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrimidine-5-carboxamide
CID 16676147
N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46809541
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110337304
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110339454
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538172
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110337611
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110338143
N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113204168

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide (CID 2107760) is 3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide is COc1ccc(C(=O)Nc2ccc3[nH]c4c(c3c2)CCCC4)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide?
The InChIKey is OJHYXEDNJXCIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-19-10-7-13(11-20(19)26-2)21(24)22-14-8-9-18-16(12-14)15-5-3-4-6-17(15)23-18/h7-12,23H,3-6H2,1-2H3,(H,22,24).
What are the key properties of 3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide?
3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide is sourced from PubChem (CID 2107760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).