N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide

C22H23N5O2 — CID 143951852

IUPACN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide
SMILESC=N/C=N\C(=C)Nc1cc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)ccc1C
InChIInChI=1S/C22H23N5O2/c1-13-6-7-15(10-19(13)25-14(2)24-12-23-5)20(28)26-16-8-9-18-17(11-16)22(3,4)21(29)27-18/h6-12,25H,2,5H2,1,3-4H3,(H,26,28)(H,27,29)/b24-12-
InChIKeyFBYFHXNYHIRTBJ-MSXFZWOLSA-N
MW389.46 g/mol
LogP4.09
Rot. Bonds6

About N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide (PubChem CID 143951852) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide
PubChem CID143951852
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide
SMILESC=N/C=N\C(=C)Nc1cc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)ccc1C
InChIInChI=1S/C22H23N5O2/c1-13-6-7-15(10-19(13)25-14(2)24-12-23-5)20(28)26-16-8-9-18-17(11-16)22(3,4)21(29)27-18/h6-12,25H,2,5H2,1,3-4H3,(H,26,28)(H,27,29)/b24-12-
InChIKeyFBYFHXNYHIRTBJ-MSXFZWOLSA-N
XLogP4.09
TPSA94.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 110405719
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N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)pyrazine-2-carboxamide
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N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide
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CID 110426145
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CID 14476448
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CID 14624056
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide
CID 110405697
N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 14856608
N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 19832367
4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide
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N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide
CID 110700491

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide?
The IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide (CID 143951852) is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide is C=N/C=N\C(=C)Nc1cc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)ccc1C.
What is the InChIKey of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide?
The InChIKey is FBYFHXNYHIRTBJ-MSXFZWOLSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-6-7-15(10-19(13)25-14(2)24-12-23-5)20(28)26-16-8-9-18-17(11-16)22(3,4)21(29)27-18/h6-12,25H,2,5H2,1,3-4H3,(H,26,28)(H,27,29)/b24-12-.
What are the key properties of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide?
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide has a molecular weight of 389.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-methyl-3-[1-[(Z)-(methylideneamino)methylideneamino]ethenylamino]benzamide is sourced from PubChem (CID 143951852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).