2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide

C22H24N2O3 — CID 113097327

IUPAC2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)N(C)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C22H24N2O3/c1-24(22(25)21-19(26-2)9-6-10-20(21)27-3)14-11-12-18-16(13-14)15-7-4-5-8-17(15)23-18/h4-10,14,23H,11-13H2,1-3H3
InChIKeyWFZGDXHGXQOCCE-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.81
Rot. Bonds4

About 2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide

2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (PubChem CID 113097327) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
PubChem CID113097327
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)N(C)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C22H24N2O3/c1-24(22(25)21-19(26-2)9-6-10-20(21)27-3)14-11-12-18-16(13-14)15-7-4-5-8-17(15)23-18/h4-10,14,23H,11-13H2,1-3H3
InChIKeyWFZGDXHGXQOCCE-UHFFFAOYSA-N
XLogP3.81
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097324
N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097328
N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 113097309
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
5-methoxy-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 12891872
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126
2,6-dimethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602191
(2,6-dimethoxyphenyl)-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)methanone
CID 84579345
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 23249177
4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097405
N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
CID 113097394

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (CID 113097327) is 2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is COc1cccc(OC)c1C(=O)N(C)C1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of 2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The InChIKey is WFZGDXHGXQOCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-24(22(25)21-19(26-2)9-6-10-20(21)27-3)14-11-12-18-16(13-14)15-7-4-5-8-17(15)23-18/h4-10,14,23H,11-13H2,1-3H3.
What are the key properties of 2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is sourced from PubChem (CID 113097327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).