(2R)-2-(phenylmethoxymethyl)octadecanamide

C26H45NO2 — CID 101216592

IUPAC(2R)-2-(phenylmethoxymethyl)octadecanamide
SMILESCCCCCCCCCCCCCCCC[C@H](COCc1ccccc1)C(N)=O
InChIInChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25(26(27)28)23-29-22-24-19-16-15-17-20-24/h15-17,19-20,25H,2-14,18,21-23H2,1H3,(H2,27,28)/t25-/m1/s1
InChIKeyYRBQMOQMURAMLI-RUZDIDTESA-N
MW403.65 g/mol
LogP7.18
Rot. Bonds20

About (2R)-2-(phenylmethoxymethyl)octadecanamide

(2R)-2-(phenylmethoxymethyl)octadecanamide (PubChem CID 101216592) has the molecular formula C26H45NO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is (2R)-2-(phenylmethoxymethyl)octadecanamide.

Molecular Properties

Compound Name(2R)-2-(phenylmethoxymethyl)octadecanamide
PubChem CID101216592
Molecular FormulaC26H45NO2
Molecular Weight403.65 g/mol
Exact Mass403.35
IUPAC Name(2R)-2-(phenylmethoxymethyl)octadecanamide
SMILESCCCCCCCCCCCCCCCC[C@H](COCc1ccccc1)C(N)=O
InChIInChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25(26(27)28)23-29-22-24-19-16-15-17-20-24/h15-17,19-20,25H,2-14,18,21-23H2,1H3,(H2,27,28)/t25-/m1/s1
InChIKeyYRBQMOQMURAMLI-RUZDIDTESA-N
XLogP7.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 57.18
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(phenylmethoxymethyl)octadecanamide?
The IUPAC name of (2R)-2-(phenylmethoxymethyl)octadecanamide (CID 101216592) is (2R)-2-(phenylmethoxymethyl)octadecanamide.
What is the SMILES notation for (2R)-2-(phenylmethoxymethyl)octadecanamide?
The canonical SMILES for (2R)-2-(phenylmethoxymethyl)octadecanamide is CCCCCCCCCCCCCCCC[C@H](COCc1ccccc1)C(N)=O.
What is the InChIKey of (2R)-2-(phenylmethoxymethyl)octadecanamide?
The InChIKey is YRBQMOQMURAMLI-RUZDIDTESA-N. The full InChI is InChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25(26(27)28)23-29-22-24-19-16-15-17-20-24/h15-17,19-20,25H,2-14,18,21-23H2,1H3,(H2,27,28)/t25-/m1/s1.
What are the key properties of (2R)-2-(phenylmethoxymethyl)octadecanamide?
(2R)-2-(phenylmethoxymethyl)octadecanamide has a molecular weight of 403.65 g/mol, XLogP of 7.18, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(phenylmethoxymethyl)octadecanamide is sourced from PubChem (CID 101216592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).