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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Related Compounds

6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide
CID 22730906
3,6,6-trimethyl-4-oxo-N-phenyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 972766
6-methyl-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 110856546
N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 22730890
4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid
CID 15337628
7,7-dimethyl-2,5-dioxo-N-[4-(1-phenylethylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565069
N-(3-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 22426570
N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559812
(9R)-6,6-dimethyl-8-oxo-N,9-diphenyl-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136868032
5,5-dimethylcyclohexane-1,3-dione;N-phenylacetamide
CID 67719434
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 17020149

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).