N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide

C26H45NO3 — CID 57162261

IUPACN-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCOc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(29)27-19-20-30-22-17-18-24(28)23(21-22)26(2,3)4/h17-18,21,28H,5-16,19-20H2,1-4H3,(H,27,29)
InChIKeyOYBUUTLGOQTXPE-UHFFFAOYSA-N
MW419.65 g/mol
LogP6.89
Rot. Bonds16

About N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide

N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide (PubChem CID 57162261) has the molecular formula C26H45NO3 and a molecular weight of 419.65 g/mol. Its IUPAC name is N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide
PubChem CID57162261
Molecular FormulaC26H45NO3
Molecular Weight419.65 g/mol
Exact Mass419.34
IUPAC NameN-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCOc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(29)27-19-20-30-22-17-18-24(28)23(21-22)26(2,3)4/h17-18,21,28H,5-16,19-20H2,1-4H3,(H,27,29)
InChIKeyOYBUUTLGOQTXPE-UHFFFAOYSA-N
XLogP6.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.65
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-tetradecoxyphenol
CID 19014137
dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate
CID 20717503
N-[2-[3,4-bis(sulfanylmethyl)phenoxy]ethyl]heptanamide
CID 139514619
N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
CID 21290134
N-(3-tert-butyl-4-hydroxyphenyl)nonanamide
CID 21290138
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
N-[2-(3,4-difluorophenoxy)ethyl]pentanamide
CID 113102441
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
2-tert-butyl-4-(2-hydroxyethoxy)phenol
CID 18353567
4-hexoxybenzene-1,2-diol
CID 23459322
tert-butyl N-[2-[3,5-bis[2-[2-(hexadecanoylamino)ethoxy]ethylcarbamoyl]phenoxy]ethyl]carbamate
CID 168852518
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide?
The IUPAC name of N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide (CID 57162261) is N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide.
What is the SMILES notation for N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide?
The canonical SMILES for N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCCOc1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide?
The InChIKey is OYBUUTLGOQTXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(29)27-19-20-30-22-17-18-24(28)23(21-22)26(2,3)4/h17-18,21,28H,5-16,19-20H2,1-4H3,(H,27,29).
What are the key properties of N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide?
N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide has a molecular weight of 419.65 g/mol, XLogP of 6.89, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide is sourced from PubChem (CID 57162261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).