N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C16H20N2O2 — CID 46381950

IUPACN-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESCOCCNC(=O)C1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C16H20N2O2/c1-20-10-9-17-16(19)13-7-4-6-12-11-5-2-3-8-14(11)18-15(12)13/h2-3,5,8,13,18H,4,6-7,9-10H2,1H3,(H,17,19)
InChIKeyAFZAFHKDVNPQPA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.35
Rot. Bonds4

About N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (PubChem CID 46381950) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
PubChem CID46381950
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESCOCCNC(=O)C1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C16H20N2O2/c1-20-10-9-17-16(19)13-7-4-6-12-11-5-2-3-8-14(11)18-15(12)13/h2-3,5,8,13,18H,4,6-7,9-10H2,1H3,(H,17,19)
InChIKeyAFZAFHKDVNPQPA-UHFFFAOYSA-N
XLogP2.35
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CID 46381950) is N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is COCCNC(=O)C1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The InChIKey is AFZAFHKDVNPQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-10-9-17-16(19)13-7-4-6-12-11-5-2-3-8-14(11)18-15(12)13/h2-3,5,8,13,18H,4,6-7,9-10H2,1H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 46381950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).