N'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide

C19H23N3O2 — CID 90790143

IUPACN'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide
SMILESCc1cc(C(N)=NO)ccc1-n1c(C)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C19H23N3O2/c1-11-7-13(18(20)21-24)5-6-15(11)22-12(2)8-14-16(22)9-19(3,4)10-17(14)23/h5-8,24H,9-10H2,1-4H3,(H2,20,21)
InChIKeyXIBMXCDPCCEZNG-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.34
Rot. Bonds2

About N'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide

N'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide (PubChem CID 90790143) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide
PubChem CID90790143
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide
SMILESCc1cc(C(N)=NO)ccc1-n1c(C)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C19H23N3O2/c1-11-7-13(18(20)21-24)5-6-15(11)22-12(2)8-14-16(22)9-19(3,4)10-17(14)23/h5-8,24H,9-10H2,1-4H3,(H2,20,21)
InChIKeyXIBMXCDPCCEZNG-UHFFFAOYSA-N
XLogP3.34
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N'-hydroxy-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide
CID 90921341
1-(2,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267551
3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66952846
3-[2-(dimethylamino)ethoxy]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66952883
1-(2-chloro-4-iodophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 107605981
1-(3-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 63466771
1-(3,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267549
1-(3,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 3247774
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 114389225
2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one
CID 114389230
2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66953025
2-[2-chloro-5-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)phenyl]-2-(4-chlorophenyl)acetonitrile
CID 5267577

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide (CID 90790143) is N'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide is Cc1cc(C(N)=NO)ccc1-n1c(C)cc2c1CC(C)(C)CC2=O.
What is the InChIKey of N'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide?
The InChIKey is XIBMXCDPCCEZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-11-7-13(18(20)21-24)5-6-15(11)22-12(2)8-14-16(22)9-19(3,4)10-17(14)23/h5-8,24H,9-10H2,1-4H3,(H2,20,21).
What are the key properties of N'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide?
N'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide has a molecular weight of 325.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 90790143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).