N-[2-(2-benzylphenoxy)ethyl]octadecanamide

C33H51NO2 — CID 17384423

IUPACN-[2-(2-benzylphenoxy)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C33H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-33(35)34-27-28-36-32-25-21-20-24-31(32)29-30-22-17-16-18-23-30/h16-18,20-25H,2-15,19,26-29H2,1H3,(H,34,35)
InChIKeyCAQIMDWECVITFU-UHFFFAOYSA-N
MW493.78 g/mol
LogP9.03
Rot. Bonds22

About N-[2-(2-benzylphenoxy)ethyl]octadecanamide

N-[2-(2-benzylphenoxy)ethyl]octadecanamide (PubChem CID 17384423) has the molecular formula C33H51NO2 and a molecular weight of 493.78 g/mol. Its IUPAC name is N-[2-(2-benzylphenoxy)ethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(2-benzylphenoxy)ethyl]octadecanamide
PubChem CID17384423
Molecular FormulaC33H51NO2
Molecular Weight493.78 g/mol
Exact Mass493.39
IUPAC NameN-[2-(2-benzylphenoxy)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C33H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-33(35)34-27-28-36-32-25-21-20-24-31(32)29-30-22-17-16-18-23-30/h16-18,20-25H,2-15,19,26-29H2,1H3,(H,34,35)
InChIKeyCAQIMDWECVITFU-UHFFFAOYSA-N
XLogP9.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.78
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156
N'-[2-(2-benzylphenoxy)acetyl]pentanehydrazide
CID 27225929
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide
CID 78760776
N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
CID 60538344
2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide
CID 9138041
3-[2-(4-chlorobutoxy)phenyl]-N-octadecylpropanamide
CID 18520271
2-(2-benzylphenoxy)-N-methylethanamine
CID 12660328
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835
5-(2-benzylphenoxy)-N-methylpentan-1-amine
CID 12660345
N-[2-[2-(2-benzylphenoxy)ethylamino]ethyl]-2-(dimethylamino)acetamide;trihydrochloride
CID 69276295
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzylphenoxy)ethyl]octadecanamide?
The IUPAC name of N-[2-(2-benzylphenoxy)ethyl]octadecanamide (CID 17384423) is N-[2-(2-benzylphenoxy)ethyl]octadecanamide.
What is the SMILES notation for N-[2-(2-benzylphenoxy)ethyl]octadecanamide?
The canonical SMILES for N-[2-(2-benzylphenoxy)ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1Cc1ccccc1.
What is the InChIKey of N-[2-(2-benzylphenoxy)ethyl]octadecanamide?
The InChIKey is CAQIMDWECVITFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-33(35)34-27-28-36-32-25-21-20-24-31(32)29-30-22-17-16-18-23-30/h16-18,20-25H,2-15,19,26-29H2,1H3,(H,34,35).
What are the key properties of N-[2-(2-benzylphenoxy)ethyl]octadecanamide?
N-[2-(2-benzylphenoxy)ethyl]octadecanamide has a molecular weight of 493.78 g/mol, XLogP of 9.03, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzylphenoxy)ethyl]octadecanamide is sourced from PubChem (CID 17384423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).