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

C25H27N3O2 — CID 87286494

IUPAC4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)cc1)CC(C)(C)C/C2=N/OCc1ccccc1
InChIInChI=1S/C25H27N3O2/c1-17-13-21-22(27-30-16-18-7-5-4-6-8-18)14-25(2,3)15-23(21)28(17)20-11-9-19(10-12-20)24(26)29/h4-13H,14-16H2,1-3H3,(H2,26,29)/b27-22-
InChIKeyFNCIZKXGHIIOFH-QYQHSDTDSA-N
MW401.51 g/mol
LogP4.78
Rot. Bonds5

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

4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide (PubChem CID 87286494) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide.

Molecular Properties

Compound Name4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide
PubChem CID87286494
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)cc1)CC(C)(C)C/C2=N/OCc1ccccc1
InChIInChI=1S/C25H27N3O2/c1-17-13-21-22(27-30-16-18-7-5-4-6-8-18)14-25(2,3)15-23(21)28(17)20-11-9-19(10-12-20)24(26)29/h4-13H,14-16H2,1-3H3,(H2,26,29)/b27-22-
InChIKeyFNCIZKXGHIIOFH-QYQHSDTDSA-N
XLogP4.78
TPSA69.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.78
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide?
The IUPAC name of 4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide (CID 87286494) is 4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide.
What is the SMILES notation for 4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide?
The canonical SMILES for 4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide is Cc1cc2c(n1-c1ccc(C(N)=O)cc1)CC(C)(C)C/C2=N/OCc1ccccc1.
What is the InChIKey of 4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide?
The InChIKey is FNCIZKXGHIIOFH-QYQHSDTDSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-17-13-21-22(27-30-16-18-7-5-4-6-8-18)14-25(2,3)15-23(21)28(17)20-11-9-19(10-12-20)24(26)29/h4-13H,14-16H2,1-3H3,(H2,26,29)/b27-22-.
What are the key properties of 4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide?
4-[(4Z)-2,6,6-trimethyl-4-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.78, 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-phenylmethoxyimino-5,7-dihydroindol-1-yl]benzamide is sourced from PubChem (CID 87286494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).