3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide

C33H43N3O3 — CID 142579603

About 3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide

3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide (PubChem CID 142579603) has the molecular formula C33H43N3O3 and a molecular weight of 529.73 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide
• PubChem CID: 142579603
• Molecular Formula: C33H43N3O3
• Molecular Weight: 529.73 g/mol
• Exact Mass: 529.33
• IUPAC Name: 3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide
• SMILES: Cc1cccc(C(CC(=O)NC2CCC(CC(=O)NO)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1
• InChI: InChI=1S/C33H43N3O3/c1-23-8-7-11-26(18-23)29(20-32(37)34-27-16-14-24(15-17-27)19-33(38)35-39)30-22-36(21-25-9-3-2-4-10-25)31-13-6-5-12-28(30)31/h5-8,11-13,18,22,24-25,27,29,39H,2-4,9-10,14-17,19-21H2,1H3,(H,34,37)(H,35,38)
• InChIKey: OQDKYMTXTTYHJB-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 83.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.73
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide?

The IUPAC name of 3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide (CID 142579603) is 3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide.

What is the SMILES notation for 3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide?

The canonical SMILES for 3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide is Cc1cccc(C(CC(=O)NC2CCC(CC(=O)NO)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1.

What is the InChIKey of 3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide?

The InChIKey is OQDKYMTXTTYHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O3/c1-23-8-7-11-26(18-23)29(20-32(37)34-27-16-14-24(15-17-27)19-33(38)35-39)30-22-36(21-25-9-3-2-4-10-25)31-13-6-5-12-28(30)31/h5-8,11-13,18,22,24-25,27,29,39H,2-4,9-10,14-17,19-21H2,1H3,(H,34,37)(H,35,38).

What are the key properties of 3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide?

3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide has a molecular weight of 529.73 g/mol, XLogP of 6.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 142579603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).