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

C34H35NO8 — CID 10531391

IUPACN-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
SMILESO=C(COC1(c2ccccc2)COc2ccccc2OCCOCCOc2ccccc2OC1)NOCc1ccccc1
InChIInChI=1S/C34H35NO8/c36-33(35-43-23-27-11-3-1-4-12-27)24-42-34(28-13-5-2-6-14-28)25-40-31-17-9-7-15-29(31)38-21-19-37-20-22-39-30-16-8-10-18-32(30)41-26-34/h1-18H,19-26H2,(H,35,36)
InChIKeyLKFMCDATOIVTPU-UHFFFAOYSA-N
MW585.65 g/mol
LogP5.09
Rot. Bonds7

About 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

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 (PubChem CID 10531391) has the molecular formula C34H35NO8 and a molecular weight of 585.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID10531391
Molecular FormulaC34H35NO8
Molecular Weight585.65 g/mol
Exact Mass585.24
IUPAC NameN-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
SMILESO=C(COC1(c2ccccc2)COc2ccccc2OCCOCCOc2ccccc2OC1)NOCc1ccccc1
InChIInChI=1S/C34H35NO8/c36-33(35-43-23-27-11-3-1-4-12-27)24-42-34(28-13-5-2-6-14-28)25-40-31-17-9-7-15-29(31)38-21-19-37-20-22-39-30-16-8-10-18-32(30)41-26-34/h1-18H,19-26H2,(H,35,36)
InChIKeyLKFMCDATOIVTPU-UHFFFAOYSA-N
XLogP5.09
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.65
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(COC1(c2ccccc2)COc2ccccc2OCCOCCOc2ccccc2OC1)NOCc1ccccc1.
What is the InChIKey of 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?
The InChIKey is LKFMCDATOIVTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35NO8/c36-33(35-43-23-27-11-3-1-4-12-27)24-42-34(28-13-5-2-6-14-28)25-40-31-17-9-7-15-29(31)38-21-19-37-20-22-39-30-16-8-10-18-32(30)41-26-34/h1-18H,19-26H2,(H,35,36).
What are the key properties of 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?
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 has a molecular weight of 585.65 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10531391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).