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

C22H25N3O — CID 84582311

IUPAC4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
SMILESCc1ccc2[nH]c3c(c2c1)CCC(NC(=O)c1ccc(N(C)C)cc1)C3
InChIInChI=1S/C22H25N3O/c1-14-4-11-20-19(12-14)18-10-7-16(13-21(18)24-20)23-22(26)15-5-8-17(9-6-15)25(2)3/h4-6,8-9,11-12,16,24H,7,10,13H2,1-3H3,(H,23,26)
InChIKeyAQVHFZRYJNQMSG-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.83
Rot. Bonds3

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

4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide (PubChem CID 84582311) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
PubChem CID84582311
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
SMILESCc1ccc2[nH]c3c(c2c1)CCC(NC(=O)c1ccc(N(C)C)cc1)C3
InChIInChI=1S/C22H25N3O/c1-14-4-11-20-19(12-14)18-10-7-16(13-21(18)24-20)23-22(26)15-5-8-17(9-6-15)25(2)3/h4-6,8-9,11-12,16,24H,7,10,13H2,1-3H3,(H,23,26)
InChIKeyAQVHFZRYJNQMSG-UHFFFAOYSA-N
XLogP3.83
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide (CID 84582311) is 4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide is Cc1ccc2[nH]c3c(c2c1)CCC(NC(=O)c1ccc(N(C)C)cc1)C3.
What is the InChIKey of 4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
The InChIKey is AQVHFZRYJNQMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-14-4-11-20-19(12-14)18-10-7-16(13-21(18)24-20)23-22(26)15-5-8-17(9-6-15)25(2)3/h4-6,8-9,11-12,16,24H,7,10,13H2,1-3H3,(H,23,26).
What are the key properties of 4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide?
4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide has a molecular weight of 347.46 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide is sourced from PubChem (CID 84582311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).