6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide

C26H31FN2O3 — CID 135267741

IUPAC6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide
SMILESCCC1=CN(CC)C2=C(OC(C)C)C=C3C(C(=O)NC)=C(c4ccc(F)cc4)OC3(C)C12
InChIInChI=1S/C26H31FN2O3/c1-7-16-14-29(8-2)23-20(31-15(3)4)13-19-21(25(30)28-6)24(32-26(19,5)22(16)23)17-9-11-18(27)12-10-17/h9-15,22H,7-8H2,1-6H3,(H,28,30)
InChIKeyQDAFZABGLOQFCW-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.89
Rot. Bonds6

About 6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide

6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide (PubChem CID 135267741) has the molecular formula C26H31FN2O3 and a molecular weight of 438.54 g/mol. Its IUPAC name is 6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide
PubChem CID135267741
Molecular FormulaC26H31FN2O3
Molecular Weight438.54 g/mol
Exact Mass438.23
IUPAC Name6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide
SMILESCCC1=CN(CC)C2=C(OC(C)C)C=C3C(C(=O)NC)=C(c4ccc(F)cc4)OC3(C)C12
InChIInChI=1S/C26H31FN2O3/c1-7-16-14-29(8-2)23-20(31-15(3)4)13-19-21(25(30)28-6)24(32-26(19,5)22(16)23)17-9-11-18(27)12-10-17/h9-15,22H,7-8H2,1-6H3,(H,28,30)
InChIKeyQDAFZABGLOQFCW-UHFFFAOYSA-N
XLogP4.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide?
The IUPAC name of 6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide (CID 135267741) is 6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide?
The canonical SMILES for 6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide is CCC1=CN(CC)C2=C(OC(C)C)C=C3C(C(=O)NC)=C(c4ccc(F)cc4)OC3(C)C12.
What is the InChIKey of 6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide?
The InChIKey is QDAFZABGLOQFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O3/c1-7-16-14-29(8-2)23-20(31-15(3)4)13-19-21(25(30)28-6)24(32-26(19,5)22(16)23)17-9-11-18(27)12-10-17/h9-15,22H,7-8H2,1-6H3,(H,28,30).
What are the key properties of 6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide?
6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide has a molecular weight of 438.54 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diethyl-2-(4-fluorophenyl)-N,8b-dimethyl-5-propan-2-yloxy-8aH-furo[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 135267741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).