N,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide

C26H55N3O4 — CID 175180875

IUPACN,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide
SMILESCCCCCCCCCCCCCCCNC(CNC(CC(=O)NO)C(O)CC)C(O)CC
InChIInChI=1S/C26H55N3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-27-23(25(31)6-3)21-28-22(24(30)5-2)20-26(32)29-33/h22-25,27-28,30-31,33H,4-21H2,1-3H3,(H,29,32)
InChIKeyLPCWISLESWCCPP-UHFFFAOYSA-N
MW473.74 g/mol
LogP4.43
Rot. Bonds24

About N,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide

N,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide (PubChem CID 175180875) has the molecular formula C26H55N3O4 and a molecular weight of 473.74 g/mol. Its IUPAC name is N,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide.

Molecular Properties

Compound NameN,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide
PubChem CID175180875
Molecular FormulaC26H55N3O4
Molecular Weight473.74 g/mol
Exact Mass473.42
IUPAC NameN,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide
SMILESCCCCCCCCCCCCCCCNC(CNC(CC(=O)NO)C(O)CC)C(O)CC
InChIInChI=1S/C26H55N3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-27-23(25(31)6-3)21-28-22(24(30)5-2)20-26(32)29-33/h22-25,27-28,30-31,33H,4-21H2,1-3H3,(H,29,32)
InChIKeyLPCWISLESWCCPP-UHFFFAOYSA-N
XLogP4.43
TPSA113.85 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.74
LogP ≤ 54.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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

3-[[2-(heptadecylamino)-3-hydroxypentyl]amino]-N,4-dihydroxyhexanamide
CID 175169214
2-[[2-(hexylamino)-3-hydroxypentyl]amino]-3-hydroxypentanoic acid
CID 175169537
2-[[2-(hexadecylamino)-3-hydroxybutyl]amino]-3-hydroxybutanoic acid
CID 172725808
3-hydroxy-2-[[3-hydroxy-2-(undecylamino)butyl]amino]butanoic acid
CID 175177952
1-(hexylamino)propan-1-ol
CID 57070645
4-(icosylamino)-2-(nonadecylamino)butane-1,3-diol
CID 88682838
2-amino-1-(pentylamino)ethanol
CID 88684452
2-(tetradecylamino)propane-1,1-diol
CID 174762987
3-amino-1-(hexylamino)propan-1-ol
CID 174419599
(hexadecylamino)methanediol
CID 139772673
(2S)-3-methyl-2-(tetradecylamino)butanamide
CID 54544525
N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079

Frequently Asked Questions

What is the IUPAC name of N,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide?
The IUPAC name of N,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide (CID 175180875) is N,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide.
What is the SMILES notation for N,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide?
The canonical SMILES for N,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide is CCCCCCCCCCCCCCCNC(CNC(CC(=O)NO)C(O)CC)C(O)CC.
What is the InChIKey of N,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide?
The InChIKey is LPCWISLESWCCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-27-23(25(31)6-3)21-28-22(24(30)5-2)20-26(32)29-33/h22-25,27-28,30-31,33H,4-21H2,1-3H3,(H,29,32).
What are the key properties of N,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide?
N,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide has a molecular weight of 473.74 g/mol, XLogP of 4.43, 24 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dihydroxy-3-[[3-hydroxy-2-(pentadecylamino)pentyl]amino]hexanamide is sourced from PubChem (CID 175180875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).