N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide

C31H36N4O6 — CID 4566264

About N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide

N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide (PubChem CID 4566264) has the molecular formula C31H36N4O6 and a molecular weight of 560.65 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide.

Molecular Properties

• Compound Name: N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide
• PubChem CID: 4566264
• Molecular Formula: C31H36N4O6
• Molecular Weight: 560.65 g/mol
• Exact Mass: 560.26
• IUPAC Name: N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide
• SMILES: CCn1c2ccccc2c2cc(NC(=O)CC(C)(C)CC(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21
• InChI: InChI=1S/C31H36N4O6/c1-7-35-23-11-9-8-10-21(23)22-16-20(12-13-24(22)35)32-27(36)17-31(2,3)18-28(37)33-34-30(38)19-14-25(39-4)29(41-6)26(15-19)40-5/h8-16H,7,17-18H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)
• InChIKey: HIZYIWBQHDBHEU-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 119.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.65
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide?

The IUPAC name of N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide (CID 4566264) is N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide.

What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide?

The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide is CCn1c2ccccc2c2cc(NC(=O)CC(C)(C)CC(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21.

What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide?

The InChIKey is HIZYIWBQHDBHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O6/c1-7-35-23-11-9-8-10-21(23)22-16-20(12-13-24(22)35)32-27(36)17-31(2,3)18-28(37)33-34-30(38)19-14-25(39-4)29(41-6)26(15-19)40-5/h8-16H,7,17-18H2,1-6H3,(H,32,36)(H,33,37)(H,34,38).

What are the key properties of N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide?

N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide has a molecular weight of 560.65 g/mol, XLogP of 5.05, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide is sourced from PubChem (CID 4566264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).