6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide

C21H29FN2O2 — CID 57395887

IUPAC6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCOc1ccc2c(c1)c1c(n2CC[18F])CCCC1C(=O)N(CC)CC
InChIInChI=1S/C21H29FN2O2/c1-4-23(5-2)21(25)16-8-7-9-19-20(16)17-14-15(26-6-3)10-11-18(17)24(19)13-12-22/h10-11,14,16H,4-9,12-13H2,1-3H3/i22-1
InChIKeyNWTOHPLZYJPHQI-KVTPGWOSSA-N
MW359.48 g/mol
LogP4.30
Rot. Bonds7

About 6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide

6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide (PubChem CID 57395887) has the molecular formula C21H29FN2O2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
PubChem CID57395887
Molecular FormulaC21H29FN2O2
Molecular Weight359.48 g/mol
Exact Mass359.22
IUPAC Name6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCOc1ccc2c(c1)c1c(n2CC[18F])CCCC1C(=O)N(CC)CC
InChIInChI=1S/C21H29FN2O2/c1-4-23(5-2)21(25)16-8-7-9-19-20(16)17-14-15(26-6-3)10-11-18(17)24(19)13-12-22/h10-11,14,16H,4-9,12-13H2,1-3H3/i22-1
InChIKeyNWTOHPLZYJPHQI-KVTPGWOSSA-N
XLogP4.30
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
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 6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The IUPAC name of 6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide (CID 57395887) is 6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide.
What is the SMILES notation for 6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The canonical SMILES for 6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide is CCOc1ccc2c(c1)c1c(n2CC[18F])CCCC1C(=O)N(CC)CC.
What is the InChIKey of 6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The InChIKey is NWTOHPLZYJPHQI-KVTPGWOSSA-N. The full InChI is InChI=1S/C21H29FN2O2/c1-4-23(5-2)21(25)16-8-7-9-19-20(16)17-14-15(26-6-3)10-11-18(17)24(19)13-12-22/h10-11,14,16H,4-9,12-13H2,1-3H3/i22-1.
What are the key properties of 6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide is sourced from PubChem (CID 57395887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).