N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide

C38H66N6O9 — CID 46180263

About N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide (PubChem CID 46180263) has the molecular formula C38H66N6O9 and a molecular weight of 750.98 g/mol. Its IUPAC name is N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide.

Molecular Properties

• Compound Name: N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
• PubChem CID: 46180263
• Molecular Formula: C38H66N6O9
• Molecular Weight: 750.98 g/mol
• Exact Mass: 750.49
• IUPAC Name: N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
• SMILES: CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
• InChI: InChI=1S/C38H66N6O9/c1-29(45)42(51)20-10-4-7-17-39-31(46)13-15-33(48)43(52)21-11-5-8-18-40-32(47)14-16-34(49)44(53)22-12-6-9-19-41-35(50)38-25-30-23-36(2,27-38)26-37(3,24-30)28-38/h30,51-53H,4-28H2,1-3H3,(H,39,46)(H,40,47)(H,41,50)/t30?,36-,37+,38?
• InChIKey: MFAUREOOURUGSY-IESZRZKVSA-N
• XLogP: 4.08
• TPSA: 208.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 25
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.98
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

The IUPAC name of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide (CID 46180263) is N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide.

What is the SMILES notation for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

The canonical SMILES for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide is CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2.

What is the InChIKey of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

The InChIKey is MFAUREOOURUGSY-IESZRZKVSA-N. The full InChI is InChI=1S/C38H66N6O9/c1-29(45)42(51)20-10-4-7-17-39-31(46)13-15-33(48)43(52)21-11-5-8-18-40-32(47)14-16-34(49)44(53)22-12-6-9-19-41-35(50)38-25-30-23-36(2,27-38)26-37(3,24-30)28-38/h30,51-53H,4-28H2,1-3H3,(H,39,46)(H,40,47)(H,41,50)/t30?,36-,37+,38?.

What are the key properties of N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide?

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide has a molecular weight of 750.98 g/mol, XLogP of 4.08, 25 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide is sourced from PubChem (CID 46180263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).