N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide

C20H33NO6 — CID 121282114

IUPACN,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide
SMILESCC(O)(O)CCCCCCCCCC(=O)N(O)C(CO)Oc1ccccc1
InChIInChI=1S/C20H33NO6/c1-20(24,25)15-11-6-4-2-3-5-10-14-18(23)21(26)19(16-22)27-17-12-8-7-9-13-17/h7-9,12-13,19,22,24-26H,2-6,10-11,14-16H2,1H3
InChIKeyMIEZSJRYBXOQLK-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.81
Rot. Bonds14

About N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide

N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide (PubChem CID 121282114) has the molecular formula C20H33NO6 and a molecular weight of 383.49 g/mol. Its IUPAC name is N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide.

Molecular Properties

Compound NameN,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide
PubChem CID121282114
Molecular FormulaC20H33NO6
Molecular Weight383.49 g/mol
Exact Mass383.23
IUPAC NameN,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide
SMILESCC(O)(O)CCCCCCCCCC(=O)N(O)C(CO)Oc1ccccc1
InChIInChI=1S/C20H33NO6/c1-20(24,25)15-11-6-4-2-3-5-10-14-18(23)21(26)19(16-22)27-17-12-8-7-9-13-17/h7-9,12-13,19,22,24-26H,2-6,10-11,14-16H2,1H3
InChIKeyMIEZSJRYBXOQLK-UHFFFAOYSA-N
XLogP2.81
TPSA110.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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CID 139622957
phenyl 6,6-dimethylheptanoate
CID 67351142
N,N-dimethyl-6-phenoxyhexanamide
CID 142596913
2-ethoxy-2-(1-phenoxyethyl)octadecanoic acid
CID 174802607
2-(1-phenoxyethoxy)undecan-2-ol
CID 175233891
decanedioic acid;2-phenoxybutanoic acid
CID 69302201
4,4-dihydroxy-1-phenylpentan-1-one
CID 163432539
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide
CID 66169775
N,N-diethyl-4-phenoxy-4-sulfanylbutanamide
CID 90973508
2-phenoxypropanoic acid;11-phenoxyundecanoic acid
CID 67508257
5,5-dimethyl-1-phenoxyhexan-1-ol
CID 67934695
benzoic acid;6-methylheptane-1,6-diol
CID 175023836

Frequently Asked Questions

What is the IUPAC name of N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide?
The IUPAC name of N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide (CID 121282114) is N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide.
What is the SMILES notation for N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide?
The canonical SMILES for N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide is CC(O)(O)CCCCCCCCCC(=O)N(O)C(CO)Oc1ccccc1.
What is the InChIKey of N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide?
The InChIKey is MIEZSJRYBXOQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO6/c1-20(24,25)15-11-6-4-2-3-5-10-14-18(23)21(26)19(16-22)27-17-12-8-7-9-13-17/h7-9,12-13,19,22,24-26H,2-6,10-11,14-16H2,1H3.
What are the key properties of N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide?
N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide has a molecular weight of 383.49 g/mol, XLogP of 2.81, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,11,11-trihydroxy-N-(2-hydroxy-1-phenoxyethyl)dodecanamide is sourced from PubChem (CID 121282114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).