N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide

C35H65N7O10 — CID 163125211

About N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide

N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide (PubChem CID 163125211) has the molecular formula C35H65N7O10 and a molecular weight of 743.94 g/mol. Its IUPAC name is N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide.

Molecular Properties

• Compound Name: N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide
• PubChem CID: 163125211
• Molecular Formula: C35H65N7O10
• Molecular Weight: 743.94 g/mol
• Exact Mass: 743.48
• IUPAC Name: N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide
• SMILES: CCCCCC(=O)N(O)CCCC(NC(=O)C(CCCN(O)C(=O)CCCCC)NC(=O)C(CCCN(O)C(=O)CCCCC)NC(C)=O)C(N)=O
• InChI: InChI=1S/C35H65N7O10/c1-5-8-11-20-30(44)40(50)23-14-17-27(33(36)47)38-35(49)29(19-16-25-42(52)32(46)22-13-10-7-3)39-34(48)28(37-26(4)43)18-15-24-41(51)31(45)21-12-9-6-2/h27-29,50-52H,5-25H2,1-4H3,(H2,36,47)(H,37,43)(H,38,49)(H,39,48)
• InChIKey: DALRSDAVVXJVPY-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 252.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 30
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.94
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

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-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide?

The IUPAC name of N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide (CID 163125211) is N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide.

What is the SMILES notation for N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide?

The canonical SMILES for N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide is CCCCCC(=O)N(O)CCCC(NC(=O)C(CCCN(O)C(=O)CCCCC)NC(=O)C(CCCN(O)C(=O)CCCCC)NC(C)=O)C(N)=O.

What is the InChIKey of N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide?

The InChIKey is DALRSDAVVXJVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H65N7O10/c1-5-8-11-20-30(44)40(50)23-14-17-27(33(36)47)38-35(49)29(19-16-25-42(52)32(46)22-13-10-7-3)39-34(48)28(37-26(4)43)18-15-24-41(51)31(45)21-12-9-6-2/h27-29,50-52H,5-25H2,1-4H3,(H2,36,47)(H,37,43)(H,38,49)(H,39,48).

What are the key properties of N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide?

N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide has a molecular weight of 743.94 g/mol, XLogP of 2.68, 30 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[[2-acetamido-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-[hexanoyl(hydroxy)amino]pentanoyl]amino]-5-amino-5-oxopentyl]-N-hydroxyhexanamide is sourced from PubChem (CID 163125211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).