N-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C18H24N2O2 — CID 143766405

IUPACN-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CCO)C(=O)c1ccc2c(c1)c1c(n2C)CCCC1
InChIInChI=1S/C18H24N2O2/c1-3-20(10-11-21)18(22)13-8-9-17-15(12-13)14-6-4-5-7-16(14)19(17)2/h8-9,12,21H,3-7,10-11H2,1-2H3
InChIKeyNZBMONLMCLESKN-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.51
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide

N-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 143766405) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID143766405
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CCO)C(=O)c1ccc2c(c1)c1c(n2C)CCCC1
InChIInChI=1S/C18H24N2O2/c1-3-20(10-11-21)18(22)13-8-9-17-15(12-13)14-6-4-5-7-16(14)19(17)2/h8-9,12,21H,3-7,10-11H2,1-2H3
InChIKeyNZBMONLMCLESKN-UHFFFAOYSA-N
XLogP2.51
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
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-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 143766405) is N-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CCN(CCO)C(=O)c1ccc2c(c1)c1c(n2C)CCCC1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is NZBMONLMCLESKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-20(10-11-21)18(22)13-8-9-17-15(12-13)14-6-4-5-7-16(14)19(17)2/h8-9,12,21H,3-7,10-11H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 143766405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).