N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide

C22H37NO3 — CID 71458404

IUPACN-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(O)c1cccc(O)c1
InChIInChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(26)23-18-21(25)19-14-13-15-20(24)17-19/h13-15,17,21,24-25H,2-12,16,18H2,1H3,(H,23,26)
InChIKeyPBDKIZBCYRASHM-UHFFFAOYSA-N
MW363.54 g/mol
LogP5.24
Rot. Bonds15

About N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide

N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide (PubChem CID 71458404) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide
PubChem CID71458404
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC NameN-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(O)c1cccc(O)c1
InChIInChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(26)23-18-21(25)19-14-13-15-20(24)17-19/h13-15,17,21,24-25H,2-12,16,18H2,1H3,(H,23,26)
InChIKeyPBDKIZBCYRASHM-UHFFFAOYSA-N
XLogP5.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.54
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
CID 20616558
N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide
CID 74954423
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
N-[(3-hydroxyphenyl)methyl]hexanamide
CID 61017300
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
CID 70112963
N-(2-chloro-2-phenylethyl)decanamide
CID 114295700
N-(2-chloro-2-phenylethyl)heptanamide
CID 114753979
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide?
The IUPAC name of N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide (CID 71458404) is N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide?
The canonical SMILES for N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCC(O)c1cccc(O)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide?
The InChIKey is PBDKIZBCYRASHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(26)23-18-21(25)19-14-13-15-20(24)17-19/h13-15,17,21,24-25H,2-12,16,18H2,1H3,(H,23,26).
What are the key properties of N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide?
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide has a molecular weight of 363.54 g/mol, XLogP of 5.24, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide is sourced from PubChem (CID 71458404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).