2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide

C24H34N6O6 — CID 135333021

About 2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide

2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide (PubChem CID 135333021) has the molecular formula C24H34N6O6 and a molecular weight of 502.57 g/mol. Its IUPAC name is 2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide.

Molecular Properties

• Compound Name: 2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide
• PubChem CID: 135333021
• Molecular Formula: C24H34N6O6
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.25
• IUPAC Name: 2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide
• SMILES: CCC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(C)=O)C(=O)NO
• InChI: InChI=1S/C24H34N6O6/c1-4-13(2)21(24(35)30-36)29-23(34)19(11-15-12-26-17-8-6-5-7-16(15)17)28-22(33)18(27-14(3)31)9-10-20(25)32/h5-8,12-13,18-19,21,26,36H,4,9-11H2,1-3H3,(H2,25,32)(H,27,31)(H,28,33)(H,29,34)(H,30,35)
• InChIKey: DNFTXTJITJAHDW-UHFFFAOYSA-N
• XLogP: 0.00
• TPSA: 195.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	0.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	6

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 2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide?

The IUPAC name of 2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide (CID 135333021) is 2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide.

What is the SMILES notation for 2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide?

The canonical SMILES for 2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide is CCC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(C)=O)C(=O)NO.

What is the InChIKey of 2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide?

The InChIKey is DNFTXTJITJAHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O6/c1-4-13(2)21(24(35)30-36)29-23(34)19(11-15-12-26-17-8-6-5-7-16(15)17)28-22(33)18(27-14(3)31)9-10-20(25)32/h5-8,12-13,18-19,21,26,36H,4,9-11H2,1-3H3,(H2,25,32)(H,27,31)(H,28,33)(H,29,34)(H,30,35).

What are the key properties of 2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide?

2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide has a molecular weight of 502.57 g/mol, XLogP of 0.00, 13 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-N-[1-[[1-(hydroxyamino)-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide is sourced from PubChem (CID 135333021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).