N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C18H22N2O2 — CID 4795908

IUPACN-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C18H22N2O2/c21-18(19-11-13-4-3-9-22-13)12-7-8-17-15(10-12)14-5-1-2-6-16(14)20-17/h7-8,10,13,20H,1-6,9,11H2,(H,19,21)
InChIKeyGVPVTUZBBIZQOB-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.96
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 4795908) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID4795908
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C18H22N2O2/c21-18(19-11-13-4-3-9-22-13)12-7-8-17-15(10-12)14-5-1-2-6-16(14)20-17/h7-8,10,13,20H,1-6,9,11H2,(H,19,21)
InChIKeyGVPVTUZBBIZQOB-UHFFFAOYSA-N
XLogP2.96
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.96
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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Related Compounds

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CID 5727814
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CID 4210929
{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butylamino)-ethyl]-1H-indol-5-yl}-morpholin-4-yl-methanone
CID 44293651

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 4795908) is N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(NCC1CCCO1)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is GVPVTUZBBIZQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(19-11-13-4-3-9-22-13)12-7-8-17-15(10-12)14-5-1-2-6-16(14)20-17/h7-8,10,13,20H,1-6,9,11H2,(H,19,21).
What are the key properties of N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 4795908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).