N-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide

C27H55NO4 — CID 139410926

IUPACN-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide
SMILESCCCCCCCCCCCCCCOC(O)CCN(O)C(=O)CCCCCCCCC
InChIInChI=1S/C27H55NO4/c1-3-5-7-9-11-12-13-14-15-17-19-21-25-32-27(30)23-24-28(31)26(29)22-20-18-16-10-8-6-4-2/h27,30-31H,3-25H2,1-2H3
InChIKeySFNDYIVAFUGZQI-UHFFFAOYSA-N
MW457.74 g/mol
LogP7.77
Rot. Bonds25

About N-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide

N-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide (PubChem CID 139410926) has the molecular formula C27H55NO4 and a molecular weight of 457.74 g/mol. Its IUPAC name is N-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide.

Molecular Properties

Compound NameN-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide
PubChem CID139410926
Molecular FormulaC27H55NO4
Molecular Weight457.74 g/mol
Exact Mass457.41
IUPAC NameN-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide
SMILESCCCCCCCCCCCCCCOC(O)CCN(O)C(=O)CCCCCCCCC
InChIInChI=1S/C27H55NO4/c1-3-5-7-9-11-12-13-14-15-17-19-21-25-32-27(30)23-24-28(31)26(29)22-20-18-16-10-8-6-4-2/h27,30-31H,3-25H2,1-2H3
InChIKeySFNDYIVAFUGZQI-UHFFFAOYSA-N
XLogP7.77
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.74
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

1-undecoxybutan-1-ol
CID 139971924
N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
nonyl 8-[5-[di(nonyl)amino]pentyl-(8-hydroxy-8-nonoxyoctyl)amino]octanoate
CID 156561381
9-[2-hydroxyethyl-(8-hydroxy-8-nonoxyoctyl)amino]nonan-2-one
CID 171538856
1-(4-hexoxybutoxy)butan-1-ol
CID 141002472
1-icosoxybutane-1,4-diol
CID 175387447
1-dodecoxy-3-sulfanylpropan-1-ol
CID 170259722
1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529
3-chloro-1-pentoxypropan-1-ol
CID 174943404
N-bromo-N-hydroxyheptatriacontanamide
CID 87686971
N-bromo-N-hydroxytetradecanamide
CID 87684693

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide?
The IUPAC name of N-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide (CID 139410926) is N-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide.
What is the SMILES notation for N-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide?
The canonical SMILES for N-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide is CCCCCCCCCCCCCCOC(O)CCN(O)C(=O)CCCCCCCCC.
What is the InChIKey of N-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide?
The InChIKey is SFNDYIVAFUGZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55NO4/c1-3-5-7-9-11-12-13-14-15-17-19-21-25-32-27(30)23-24-28(31)26(29)22-20-18-16-10-8-6-4-2/h27,30-31H,3-25H2,1-2H3.
What are the key properties of N-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide?
N-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide has a molecular weight of 457.74 g/mol, XLogP of 7.77, 25 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(3-hydroxy-3-tetradecoxypropyl)decanamide is sourced from PubChem (CID 139410926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).