N-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide

C25H43NO4 — CID 42626166

IUPACN-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide
SMILESCCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCCO)c1
InChIInChI=1S/C25H43NO4/c1-4-5-6-11-14-25(2,3)21-18-22(28)20-23(19-21)30-17-12-9-7-8-10-13-24(29)26-15-16-27/h18-20,27-28H,4-17H2,1-3H3,(H,26,29)
InChIKeyLXIZCYKFRPCCJS-UHFFFAOYSA-N
MW421.62 g/mol
LogP5.47
Rot. Bonds17

About N-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide

N-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide (PubChem CID 42626166) has the molecular formula C25H43NO4 and a molecular weight of 421.62 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide
PubChem CID42626166
Molecular FormulaC25H43NO4
Molecular Weight421.62 g/mol
Exact Mass421.32
IUPAC NameN-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide
SMILESCCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCCO)c1
InChIInChI=1S/C25H43NO4/c1-4-5-6-11-14-25(2,3)21-18-22(28)20-23(19-21)30-17-12-9-7-8-10-13-24(29)26-15-16-27/h18-20,27-28H,4-17H2,1-3H3,(H,26,29)
InChIKeyLXIZCYKFRPCCJS-UHFFFAOYSA-N
XLogP5.47
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.62
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide
CID 42625284
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 11-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]undecanoate
CID 56925537
5-(2-methylheptan-2-yl)benzene-1,3-diol
CID 12713057
5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide
CID 90738357
N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide
CID 57162261
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid
CID 172708754
2-[4-(2-methyloctan-2-yl)phenoxy]ethanol
CID 102437281
8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide
CID 118710952
N-decyl-7,7-dimethyloctanamide
CID 139961894

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide?
The IUPAC name of N-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide (CID 42626166) is N-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide?
The canonical SMILES for N-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide is CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide?
The InChIKey is LXIZCYKFRPCCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO4/c1-4-5-6-11-14-25(2,3)21-18-22(28)20-23(19-21)30-17-12-9-7-8-10-13-24(29)26-15-16-27/h18-20,27-28H,4-17H2,1-3H3,(H,26,29).
What are the key properties of N-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide?
N-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide has a molecular weight of 421.62 g/mol, XLogP of 5.47, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide is sourced from PubChem (CID 42626166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).