8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C22H31N3O — CID 59014682

IUPAC8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1
InChIInChI=1S/C22H31N3O/c1-3-25(2)22(26)15-12-13-19-18(14-15)17-10-7-11-20(21(17)24-19)23-16-8-5-4-6-9-16/h12-14,16,20,23-24H,3-11H2,1-2H3
InChIKeyXETKSNUPTQQATF-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.56
Rot. Bonds4

About 8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 59014682) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID59014682
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1
InChIInChI=1S/C22H31N3O/c1-3-25(2)22(26)15-12-13-19-18(14-15)17-10-7-11-20(21(17)24-19)23-16-8-5-4-6-9-16/h12-14,16,20,23-24H,3-11H2,1-2H3
InChIKeyXETKSNUPTQQATF-UHFFFAOYSA-N
XLogP4.56
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.56
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 8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of 8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 59014682) is 8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for 8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for 8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CCN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1.
What is the InChIKey of 8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is XETKSNUPTQQATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-3-25(2)22(26)15-12-13-19-18(14-15)17-10-7-11-20(21(17)24-19)23-16-8-5-4-6-9-16/h12-14,16,20,23-24H,3-11H2,1-2H3.
What are the key properties of 8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 59014682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).