4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide

C22H29N3O2 — CID 87213174

IUPAC4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)cc1)CC(C)(C)C/C2=N/OCC(C)C
InChIInChI=1S/C22H29N3O2/c1-14(2)13-27-24-19-11-22(4,5)12-20-18(19)10-15(3)25(20)17-8-6-16(7-9-17)21(23)26/h6-10,14H,11-13H2,1-5H3,(H2,23,26)/b24-19-
InChIKeyBTPXAURCGVHWRN-CLCOLTQESA-N
MW367.49 g/mol
LogP4.23
Rot. Bonds5

About 4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide

4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide (PubChem CID 87213174) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide.

Molecular Properties

Compound Name4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide
PubChem CID87213174
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)cc1)CC(C)(C)C/C2=N/OCC(C)C
InChIInChI=1S/C22H29N3O2/c1-14(2)13-27-24-19-11-22(4,5)12-20-18(19)10-15(3)25(20)17-8-6-16(7-9-17)21(23)26/h6-10,14H,11-13H2,1-5H3,(H2,23,26)/b24-19-
InChIKeyBTPXAURCGVHWRN-CLCOLTQESA-N
XLogP4.23
TPSA69.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide
CID 87286494
4-[(4Z)-6,6-dimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindazol-1-yl]benzamide
CID 87213434
[(E)-[2,6,6-trimethyl-1-(4-methylphenyl)-5,7-dihydroindol-4-ylidene]amino] (E)-3-phenylprop-2-enoate
CID 18833399
[(E)-[2,6,6-trimethyl-1-(4-methylphenyl)-5,7-dihydroindol-4-ylidene]amino] 2-chlorobenzoate
CID 18833366
4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide
CID 91314816
[(E)-[1-(3,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-ylidene]amino] 4-chlorobenzoate
CID 18833447
[(E)-[1-(4-chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-ylidene]amino] thiophene-2-carboxylate
CID 18833480
[(E)-[1-(3,4-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-ylidene]amino] naphthalene-1-carboxylate
CID 18833418
3-(2-propan-2-yloxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66952977
4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide
CID 66953002
3-(2-methoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66952846
3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66953041

Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide?
The IUPAC name of 4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide (CID 87213174) is 4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide.
What is the SMILES notation for 4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide?
The canonical SMILES for 4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide is Cc1cc2c(n1-c1ccc(C(N)=O)cc1)CC(C)(C)C/C2=N/OCC(C)C.
What is the InChIKey of 4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide?
The InChIKey is BTPXAURCGVHWRN-CLCOLTQESA-N. The full InChI is InChI=1S/C22H29N3O2/c1-14(2)13-27-24-19-11-22(4,5)12-20-18(19)10-15(3)25(20)17-8-6-16(7-9-17)21(23)26/h6-10,14H,11-13H2,1-5H3,(H2,23,26)/b24-19-.
What are the key properties of 4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide?
4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-2,6,6-trimethyl-4-(2-methylpropoxyimino)-5,7-dihydroindol-1-yl]benzamide is sourced from PubChem (CID 87213174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).