4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide

C18H22N4O2 — CID 91314816

IUPAC4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide
SMILESCCON=C1CC(C)(C)Cc2c1cnn2-c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H22N4O2/c1-4-24-21-15-9-18(2,3)10-16-14(15)11-20-22(16)13-7-5-12(6-8-13)17(19)23/h5-8,11H,4,9-10H2,1-3H3,(H2,19,23)
InChIKeyPQXDACZRKHYLSX-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.68
Rot. Bonds4

About 4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide

4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide (PubChem CID 91314816) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide.

Molecular Properties

Compound Name4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide
PubChem CID91314816
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide
SMILESCCON=C1CC(C)(C)Cc2c1cnn2-c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H22N4O2/c1-4-24-21-15-9-18(2,3)10-16-14(15)11-20-22(16)13-7-5-12(6-8-13)17(19)23/h5-8,11H,4,9-10H2,1-3H3,(H2,19,23)
InChIKeyPQXDACZRKHYLSX-UHFFFAOYSA-N
XLogP2.68
TPSA82.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide?
The IUPAC name of 4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide (CID 91314816) is 4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide.
What is the SMILES notation for 4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide?
The canonical SMILES for 4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide is CCON=C1CC(C)(C)Cc2c1cnn2-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide?
The InChIKey is PQXDACZRKHYLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-24-21-15-9-18(2,3)10-16-14(15)11-20-22(16)13-7-5-12(6-8-13)17(19)23/h5-8,11H,4,9-10H2,1-3H3,(H2,19,23).
What are the key properties of 4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide?
4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyimino-6,6-dimethyl-5,7-dihydroindazol-1-yl)benzamide is sourced from PubChem (CID 91314816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).