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

C22H24N2O2 — CID 84579968

IUPACN-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide
SMILESCc1ccc2[nH]c3c(c2c1)CCC(NC(=O)CCOc1ccccc1)C3
InChIInChI=1S/C22H24N2O2/c1-15-7-10-20-19(13-15)18-9-8-16(14-21(18)24-20)23-22(25)11-12-26-17-5-3-2-4-6-17/h2-7,10,13,16,24H,8-9,11-12,14H2,1H3,(H,23,25)
InChIKeyMICLONCEOWAOND-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.92
Rot. Bonds5

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

N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide (PubChem CID 84579968) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide
PubChem CID84579968
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide
SMILESCc1ccc2[nH]c3c(c2c1)CCC(NC(=O)CCOc1ccccc1)C3
InChIInChI=1S/C22H24N2O2/c1-15-7-10-20-19(13-15)18-9-8-16(14-21(18)24-20)23-22(25)11-12-26-17-5-3-2-4-6-17/h2-7,10,13,16,24H,8-9,11-12,14H2,1H3,(H,23,25)
InChIKeyMICLONCEOWAOND-UHFFFAOYSA-N
XLogP3.92
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.92
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 N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide?
The IUPAC name of N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide (CID 84579968) is N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide is Cc1ccc2[nH]c3c(c2c1)CCC(NC(=O)CCOc1ccccc1)C3.
What is the InChIKey of N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide?
The InChIKey is MICLONCEOWAOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-7-10-20-19(13-15)18-9-8-16(14-21(18)24-20)23-22(25)11-12-26-17-5-3-2-4-6-17/h2-7,10,13,16,24H,8-9,11-12,14H2,1H3,(H,23,25).
What are the key properties of N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide?
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide has a molecular weight of 348.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide is sourced from PubChem (CID 84579968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).