2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide

C40H55NO8 — CID 10652125

IUPAC2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide
SMILESCCCCCCCCCCCCC(OC1COc2ccccc2OCCOCCOc2ccccc2OC1)C(=O)NOCc1ccccc1
InChIInChI=1S/C40H55NO8/c1-2-3-4-5-6-7-8-9-10-14-25-39(40(42)41-48-30-33-19-12-11-13-20-33)49-34-31-46-37-23-17-15-21-35(37)44-28-26-43-27-29-45-36-22-16-18-24-38(36)47-32-34/h11-13,15-24,34,39H,2-10,14,25-32H2,1H3,(H,41,42)
InChIKeyIAZFPDDMIYUEJI-UHFFFAOYSA-N
MW677.88 g/mol
LogP8.24
Rot. Bonds17

About 2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide

2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide (PubChem CID 10652125) has the molecular formula C40H55NO8 and a molecular weight of 677.88 g/mol. Its IUPAC name is 2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide.

Molecular Properties

Compound Name2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide
PubChem CID10652125
Molecular FormulaC40H55NO8
Molecular Weight677.88 g/mol
Exact Mass677.39
IUPAC Name2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide
SMILESCCCCCCCCCCCCC(OC1COc2ccccc2OCCOCCOc2ccccc2OC1)C(=O)NOCc1ccccc1
InChIInChI=1S/C40H55NO8/c1-2-3-4-5-6-7-8-9-10-14-25-39(40(42)41-48-30-33-19-12-11-13-20-33)49-34-31-46-37-23-17-15-21-35(37)44-28-26-43-27-29-45-36-22-16-18-24-38(36)47-32-34/h11-13,15-24,34,39H,2-10,14,25-32H2,1H3,(H,41,42)
InChIKeyIAZFPDDMIYUEJI-UHFFFAOYSA-N
XLogP8.24
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.88
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)octanoic acid
CID 12883222
2-(2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-yloxy)octadecanoic acid
CID 10769865
2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]-N-phenylmethoxyacetamide
CID 10699422
2-(phenylmethoxycarbamoyl)heptanoic acid
CID 87592184
(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
2-(2,6,13,16,19,22-hexaoxatricyclo[21.4.0.07,12]heptacosa-1(27),7,9,11,23,25-hexaen-4-yloxy)acetic acid
CID 12883219
benzyl 2-decyldodecanoate
CID 129279401
N-phenylmethoxyhexanamide
CID 60717350
benzyl 2-hydroxydecanoate
CID 139390218
2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide
CID 123770580
N-phenylmethoxy-2-[(4-phenyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]acetamide
CID 10531391
2-[(4-decyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]acetic acid
CID 14747268

Frequently Asked Questions

What is the IUPAC name of 2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide?
The IUPAC name of 2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide (CID 10652125) is 2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide.
What is the SMILES notation for 2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide?
The canonical SMILES for 2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide is CCCCCCCCCCCCC(OC1COc2ccccc2OCCOCCOc2ccccc2OC1)C(=O)NOCc1ccccc1.
What is the InChIKey of 2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide?
The InChIKey is IAZFPDDMIYUEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H55NO8/c1-2-3-4-5-6-7-8-9-10-14-25-39(40(42)41-48-30-33-19-12-11-13-20-33)49-34-31-46-37-23-17-15-21-35(37)44-28-26-43-27-29-45-36-22-16-18-24-38(36)47-32-34/h11-13,15-24,34,39H,2-10,14,25-32H2,1H3,(H,41,42).
What are the key properties of 2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide?
2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide has a molecular weight of 677.88 g/mol, XLogP of 8.24, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)-N-phenylmethoxytetradecanamide is sourced from PubChem (CID 10652125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).