N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide

C30H57N5O8 — CID 160650527

IUPACN'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide
SMILESCCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(C)C
InChIInChI=1S/C30H57N5O8/c1-4-5-6-11-22-34(42)29(39)18-15-26(36)32-21-10-8-13-24-35(43)30(40)19-16-27(37)31-20-9-7-12-23-33(41)28(38)17-14-25(2)3/h25,41-43H,4-24H2,1-3H3,(H,31,37)(H,32,36)
InChIKeyRKIXHMODGAYARG-UHFFFAOYSA-N
MW615.81 g/mol
LogP3.79
Rot. Bonds26

About N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide

N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide (PubChem CID 160650527) has the molecular formula C30H57N5O8 and a molecular weight of 615.81 g/mol. Its IUPAC name is N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide.

Molecular Properties

Compound NameN'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide
PubChem CID160650527
Molecular FormulaC30H57N5O8
Molecular Weight615.81 g/mol
Exact Mass615.42
IUPAC NameN'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide
SMILESCCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(C)C
InChIInChI=1S/C30H57N5O8/c1-4-5-6-11-22-34(42)29(39)18-15-26(36)32-21-10-8-13-24-35(43)30(40)19-16-27(37)31-20-9-7-12-23-33(41)28(38)17-14-25(2)3/h25,41-43H,4-24H2,1-3H3,(H,31,37)(H,32,36)
InChIKeyRKIXHMODGAYARG-UHFFFAOYSA-N
XLogP3.79
TPSA179.82 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.81
LogP ≤ 53.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
4-[5-[hydroxy-[4-[5-[hydroxy(10-methylundecanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylamino]-4-oxobutanoic acid
CID 163181898
N-hexyl-6-methylheptanamide
CID 141197249
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(propylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 101086377
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199
N-(7-methyloctyl)-4-oxododecanamide
CID 165096838
N'-[5-[[4-[5-acetamidopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxybutanediamide
CID 10008761
N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane
CID 169103058
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(hydroxyamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 10257560
N-[2-[2-[[4-[2-[2-[[4-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethylamino]-4-oxobutanoyl]-hydroxyamino]ethoxy]ethylamino]-4-oxobutanoyl]-hydroxyamino]ethoxy]ethyl]-N'-hexyl-N'-hydroxybutanediamide
CID 145324045

Frequently Asked Questions

What is the IUPAC name of N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide?
The IUPAC name of N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide (CID 160650527) is N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide.
What is the SMILES notation for N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide?
The canonical SMILES for N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide is CCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(C)C.
What is the InChIKey of N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide?
The InChIKey is RKIXHMODGAYARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57N5O8/c1-4-5-6-11-22-34(42)29(39)18-15-26(36)32-21-10-8-13-24-35(43)30(40)19-16-27(37)31-20-9-7-12-23-33(41)28(38)17-14-25(2)3/h25,41-43H,4-24H2,1-3H3,(H,31,37)(H,32,36).
What are the key properties of N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide?
N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide has a molecular weight of 615.81 g/mol, XLogP of 3.79, 26 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide is sourced from PubChem (CID 160650527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).