6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane

C23H36N2O2 — CID 91352681

IUPAC6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane
SMILESCC.CC.CC.CC1(C)CC(=O)c2c(C(=O)Nc3ccccc3)c[nH]c2C1
InChIInChI=1S/C17H18N2O2.3C2H6/c1-17(2)8-13-15(14(20)9-17)12(10-18-13)16(21)19-11-6-4-3-5-7-11;3*1-2/h3-7,10,18H,8-9H2,1-2H3,(H,19,21);3*1-2H3
InChIKeyYKMFJNDZSCCBMK-UHFFFAOYSA-N
MW372.55 g/mol
LogP6.50
Rot. Bonds2

About 6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane

6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane (PubChem CID 91352681) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane.

Molecular Properties

Compound Name6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane
PubChem CID91352681
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane
SMILESCC.CC.CC.CC1(C)CC(=O)c2c(C(=O)Nc3ccccc3)c[nH]c2C1
InChIInChI=1S/C17H18N2O2.3C2H6/c1-17(2)8-13-15(14(20)9-17)12(10-18-13)16(21)19-11-6-4-3-5-7-11;3*1-2/h3-7,10,18H,8-9H2,1-2H3,(H,19,21);3*1-2H3
InChIKeyYKMFJNDZSCCBMK-UHFFFAOYSA-N
XLogP6.50
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane?
The IUPAC name of 6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane (CID 91352681) is 6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane.
What is the SMILES notation for 6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane?
The canonical SMILES for 6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane is CC.CC.CC.CC1(C)CC(=O)c2c(C(=O)Nc3ccccc3)c[nH]c2C1.
What is the InChIKey of 6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane?
The InChIKey is YKMFJNDZSCCBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2.3C2H6/c1-17(2)8-13-15(14(20)9-17)12(10-18-13)16(21)19-11-6-4-3-5-7-11;3*1-2/h3-7,10,18H,8-9H2,1-2H3,(H,19,21);3*1-2H3.
What are the key properties of 6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane?
6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane has a molecular weight of 372.55 g/mol, XLogP of 6.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane is sourced from PubChem (CID 91352681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).