N-(2-phenylmethoxyethyl)octadecanamide

C27H47NO2 — CID 3875168

IUPACN-(2-phenylmethoxyethyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOCc1ccccc1
InChIInChI=1S/C27H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(29)28-23-24-30-25-26-20-17-16-18-21-26/h16-18,20-21H,2-15,19,22-25H2,1H3,(H,28,29)
InChIKeyLYWJMLVVNCUIIR-UHFFFAOYSA-N
MW417.68 g/mol
LogP7.58
Rot. Bonds21

About N-(2-phenylmethoxyethyl)octadecanamide

N-(2-phenylmethoxyethyl)octadecanamide (PubChem CID 3875168) has the molecular formula C27H47NO2 and a molecular weight of 417.68 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)octadecanamide.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)octadecanamide
PubChem CID3875168
Molecular FormulaC27H47NO2
Molecular Weight417.68 g/mol
Exact Mass417.36
IUPAC NameN-(2-phenylmethoxyethyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOCc1ccccc1
InChIInChI=1S/C27H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(29)28-23-24-30-25-26-20-17-16-18-21-26/h16-18,20-21H,2-15,19,22-25H2,1H3,(H,28,29)
InChIKeyLYWJMLVVNCUIIR-UHFFFAOYSA-N
XLogP7.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 57.58
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-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629503
N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide
CID 49381134
N-benzylundecanamide
CID 5078198
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
N-[2-(2-benzylphenoxy)ethyl]octadecanamide
CID 17384423
N-(4-phenylbutyl)hexanamide
CID 4985988
N-butyl-2-phenylmethoxyacetamide
CID 126717674
2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
benzyl 2-(18-phenylmethoxyoctadecanoylamino)acetate;2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetic acid
CID 145339533
N-phenylmethoxyhexanamide
CID 60717350
3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899
N-benzyl-4-phenylmethoxybutanamide
CID 15396752

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyethyl)octadecanamide?
The IUPAC name of N-(2-phenylmethoxyethyl)octadecanamide (CID 3875168) is N-(2-phenylmethoxyethyl)octadecanamide.
What is the SMILES notation for N-(2-phenylmethoxyethyl)octadecanamide?
The canonical SMILES for N-(2-phenylmethoxyethyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCOCc1ccccc1.
What is the InChIKey of N-(2-phenylmethoxyethyl)octadecanamide?
The InChIKey is LYWJMLVVNCUIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(29)28-23-24-30-25-26-20-17-16-18-21-26/h16-18,20-21H,2-15,19,22-25H2,1H3,(H,28,29).
What are the key properties of N-(2-phenylmethoxyethyl)octadecanamide?
N-(2-phenylmethoxyethyl)octadecanamide has a molecular weight of 417.68 g/mol, XLogP of 7.58, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)octadecanamide is sourced from PubChem (CID 3875168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).