2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide

C33H35FN2O3 — CID 10143034

IUPAC2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide
SMILESCOc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C33H35FN2O3/c1-38-32-17-16-26(21-31(32)34)23-36(18-9-19-39-29-15-8-10-25(20-29)22-33(35)37)24-30(27-11-4-2-5-12-27)28-13-6-3-7-14-28/h2-8,10-17,20-21,30H,9,18-19,22-24H2,1H3,(H2,35,37)
InChIKeyOPWHNQJROOXYEZ-UHFFFAOYSA-N
MW526.65 g/mol
LogP5.97
Rot. Bonds14

About 2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide

2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide (PubChem CID 10143034) has the molecular formula C33H35FN2O3 and a molecular weight of 526.65 g/mol. Its IUPAC name is 2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide
PubChem CID10143034
Molecular FormulaC33H35FN2O3
Molecular Weight526.65 g/mol
Exact Mass526.26
IUPAC Name2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide
SMILESCOc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C33H35FN2O3/c1-38-32-17-16-26(21-31(32)34)23-36(18-9-19-39-29-15-8-10-25(20-29)22-33(35)37)24-30(27-11-4-2-5-12-27)28-13-6-3-7-14-28/h2-8,10-17,20-21,30H,9,18-19,22-24H2,1H3,(H2,35,37)
InChIKeyOPWHNQJROOXYEZ-UHFFFAOYSA-N
XLogP5.97
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.65
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide?
The IUPAC name of 2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide (CID 10143034) is 2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide.
What is the SMILES notation for 2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide?
The canonical SMILES for 2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide is COc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1F.
What is the InChIKey of 2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide?
The InChIKey is OPWHNQJROOXYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN2O3/c1-38-32-17-16-26(21-31(32)34)23-36(18-9-19-39-29-15-8-10-25(20-29)22-33(35)37)24-30(27-11-4-2-5-12-27)28-13-6-3-7-14-28/h2-8,10-17,20-21,30H,9,18-19,22-24H2,1H3,(H2,35,37).
What are the key properties of 2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide?
2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide has a molecular weight of 526.65 g/mol, XLogP of 5.97, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2,2-diphenylethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide is sourced from PubChem (CID 10143034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).