N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide

C48H64N4O6 — CID 161082110

About N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide

N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide (PubChem CID 161082110) has the molecular formula C48H64N4O6 and a molecular weight of 793.06 g/mol. Its IUPAC name is N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide.

Molecular Properties

• Compound Name: N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide
• PubChem CID: 161082110
• Molecular Formula: C48H64N4O6
• Molecular Weight: 793.06 g/mol
• Exact Mass: 792.48
• IUPAC Name: N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide
• SMILES: CCc1c(OC)cccc1C(=O)NN(CC(C)(C)C)C(=O)c1cc(C)cc(C)c1.COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)C(C)(C)C)c1C
• InChI: InChI=1S/2C24H32N2O3/c1-15-12-16(2)14-19(13-15)23(28)26(18(4)24(5,6)7)25-22(27)20-10-9-11-21(29-8)17(20)3;1-8-19-20(10-9-11-21(19)29-7)22(27)25-26(15-24(4,5)6)23(28)18-13-16(2)12-17(3)14-18/h9-14,18H,1-8H3,(H,25,27);9-14H,8,15H2,1-7H3,(H,25,27)
• InChIKey: UGAVWRTZDYKPKC-UHFFFAOYSA-N
• XLogP: 9.55
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.06
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide?

The IUPAC name of N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide (CID 161082110) is N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide.

What is the SMILES notation for N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide?

The canonical SMILES for N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide is CCc1c(OC)cccc1C(=O)NN(CC(C)(C)C)C(=O)c1cc(C)cc(C)c1.COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)C(C)(C)C)c1C.

What is the InChIKey of N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide?

The InChIKey is UGAVWRTZDYKPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H32N2O3/c1-15-12-16(2)14-19(13-15)23(28)26(18(4)24(5,6)7)25-22(27)20-10-9-11-21(29-8)17(20)3;1-8-19-20(10-9-11-21(19)29-7)22(27)25-26(15-24(4,5)6)23(28)18-13-16(2)12-17(3)14-18/h9-14,18H,1-8H3,(H,25,27);9-14H,8,15H2,1-7H3,(H,25,27).

What are the key properties of N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide?

N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide has a molecular weight of 793.06 g/mol, XLogP of 9.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide is sourced from PubChem (CID 161082110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).