N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C18H22N2O3 — CID 52536439

IUPACN-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NO[C@@H]1CCCCO1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C18H22N2O3/c21-18(20-23-17-7-3-4-10-22-17)12-8-9-16-14(11-12)13-5-1-2-6-15(13)19-16/h8-9,11,17,19H,1-7,10H2,(H,20,21)/t17-/m1/s1
InChIKeyOEPLGFQKHRLVRM-QGZVFWFLSA-N
MW314.38 g/mol
LogP3.23
Rot. Bonds3

About N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 52536439) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID52536439
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NO[C@@H]1CCCCO1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C18H22N2O3/c21-18(20-23-17-7-3-4-10-22-17)12-8-9-16-14(11-12)13-5-1-2-6-15(13)19-16/h8-9,11,17,19H,1-7,10H2,(H,20,21)/t17-/m1/s1
InChIKeyOEPLGFQKHRLVRM-QGZVFWFLSA-N
XLogP3.23
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 52536439) is N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(NO[C@@H]1CCCCO1)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is OEPLGFQKHRLVRM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-18(20-23-17-7-3-4-10-22-17)12-8-9-16-14(11-12)13-5-1-2-6-15(13)19-16/h8-9,11,17,19H,1-7,10H2,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 52536439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).