N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C22H24N2O3 — CID 113204168

IUPACN-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCc3[nH]c4ccc(C)cc4c3C2)cc1OC
InChIInChI=1S/C22H24N2O3/c1-13-4-7-18-16(10-13)17-11-14(5-8-19(17)24-18)22(25)23-15-6-9-20(26-2)21(12-15)27-3/h4,6-7,9-10,12,14,24H,5,8,11H2,1-3H3,(H,23,25)
InChIKeyHIURSIYFIFGDKV-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.24
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113204168) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113204168
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCc3[nH]c4ccc(C)cc4c3C2)cc1OC
InChIInChI=1S/C22H24N2O3/c1-13-4-7-18-16(10-13)17-11-14(5-8-19(17)24-18)22(25)23-15-6-9-20(26-2)21(12-15)27-3/h4,6-7,9-10,12,14,24H,5,8,11H2,1-3H3,(H,23,25)
InChIKeyHIURSIYFIFGDKV-UHFFFAOYSA-N
XLogP4.24
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.24
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

N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612972
N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612967
6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113204140
N-(5-chloro-2-methoxyphenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203782
ethyl 4-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-3-carbonyl)amino]benzoate
CID 113203916
3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide
CID 2107760
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]cyclopropanecarboxamide
CID 22611246
ethyl 4-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 113204130
N-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203990
N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612984
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
N-(3,4-dimethoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680789

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113204168) is N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is COc1ccc(NC(=O)C2CCc3[nH]c4ccc(C)cc4c3C2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is HIURSIYFIFGDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-13-4-7-18-16(10-13)17-11-14(5-8-19(17)24-18)22(25)23-15-6-9-20(26-2)21(12-15)27-3/h4,6-7,9-10,12,14,24H,5,8,11H2,1-3H3,(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113204168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).