N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide

C19H24N2O3 — CID 156608505

IUPACN-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
SMILESCOC1CCOCC1NC(=O)c1ccc2c3c([nH]c2c1)CCCC3
InChIInChI=1S/C19H24N2O3/c1-23-18-8-9-24-11-17(18)21-19(22)12-6-7-14-13-4-2-3-5-15(13)20-16(14)10-12/h6-7,10,17-18,20H,2-5,8-9,11H2,1H3,(H,21,22)
InChIKeyXEOZUVPROXDPFT-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.58
Rot. Bonds3

About N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide

N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide (PubChem CID 156608505) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
PubChem CID156608505
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
SMILESCOC1CCOCC1NC(=O)c1ccc2c3c([nH]c2c1)CCCC3
InChIInChI=1S/C19H24N2O3/c1-23-18-8-9-24-11-17(18)21-19(22)12-6-7-14-13-4-2-3-5-15(13)20-16(14)10-12/h6-7,10,17-18,20H,2-5,8-9,11H2,1H3,(H,21,22)
InChIKeyXEOZUVPROXDPFT-UHFFFAOYSA-N
XLogP2.58
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The IUPAC name of N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide (CID 156608505) is N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide.
What is the SMILES notation for N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The canonical SMILES for N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide is COC1CCOCC1NC(=O)c1ccc2c3c([nH]c2c1)CCCC3.
What is the InChIKey of N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The InChIKey is XEOZUVPROXDPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-18-8-9-24-11-17(18)21-19(22)12-6-7-14-13-4-2-3-5-15(13)20-16(14)10-12/h6-7,10,17-18,20H,2-5,8-9,11H2,1H3,(H,21,22).
What are the key properties of N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide is sourced from PubChem (CID 156608505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).