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

C33H35FN2O3 — CID 10301876

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

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

2-[3-[3-[2,2-diphenylethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide (PubChem CID 10301876) has the molecular formula C33H35FN2O3 and a molecular weight of 526.65 g/mol. Its IUPAC name is 2-[3-[3-[2,2-diphenylethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[3-[2,2-diphenylethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide
PubChem CID10301876
Molecular FormulaC33H35FN2O3
Molecular Weight526.65 g/mol
Exact Mass526.26
IUPAC Name2-[3-[3-[2,2-diphenylethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide
SMILESCOc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C33H35FN2O3/c1-38-29-17-16-28(32(34)22-29)23-36(18-9-19-39-30-15-8-10-25(20-30)21-33(35)37)24-31(26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-8,10-17,20,22,31H,9,18-19,21,23-24H2,1H3,(H2,35,37)
InChIKeyDIASBTZRVLJKDB-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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Related Compounds

3-(3-{[(3,4-Dimethoxyphenyl)methyl](2,2-diphenylethyl)amino}propoxy)benzamide
CID 10118997
2-(3-{3-[(2,2-Diphenylethyl)[(3-fluoro-4-methoxyphenyl)methyl]amino]propoxy}phenyl)acetamide
CID 10143034
2-(3-{3-[(2,2-Diphenylethyl)[(4-methoxyphenyl)methyl]amino]propoxy}phenyl)acetamide
CID 10164424
2-[3-(3-{[(2,4-Dimethoxyphenyl)methyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetamide
CID 10230558
2-(3-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-diphenylethyl-amino]-propoxy}-phenyl)-acetamide
CID 10231936
2-(3-{3-[(2,2-Diphenylethyl)({[3-(trifluoromethyl)phenyl]methyl})amino]propoxy}phenyl)acetamide
CID 10280681
2-(3-{3-[(2,2-Diphenylethyl)[(4-methoxyphenyl)methyl]amino]propoxy}phenyl)acetic acid
CID 10301104
2-(3-{3-[(2,2-Diphenylethyl)({[4-fluoro-3-(trifluoromethyl)phenyl]methyl})amino]propoxy}phenyl)acetamide
CID 11813747
4-[3-[4-(4-Fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide
CID 133107908
4-[3-[4-[Bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]benzamide
CID 14407137
N-[[1-[3-(4-acetyl-2-methoxyphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methyl]acetamide
CID 15093870
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-(4-fluorobenzyl)-1-(3-methoxyphenyl)-N-methylcyclopropanecarboxamide
CID 53321002

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,2-diphenylethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide?
The IUPAC name of 2-[3-[3-[2,2-diphenylethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide (CID 10301876) is 2-[3-[3-[2,2-diphenylethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide.
What is the SMILES notation for 2-[3-[3-[2,2-diphenylethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide?
The canonical SMILES for 2-[3-[3-[2,2-diphenylethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide is COc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)c(F)c1.
What is the InChIKey of 2-[3-[3-[2,2-diphenylethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide?
The InChIKey is DIASBTZRVLJKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN2O3/c1-38-29-17-16-28(32(34)22-29)23-36(18-9-19-39-30-15-8-10-25(20-30)21-33(35)37)24-31(26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-8,10-17,20,22,31H,9,18-19,21,23-24H2,1H3,(H2,35,37).
What are the key properties of 2-[3-[3-[2,2-diphenylethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide?
2-[3-[3-[2,2-diphenylethyl-[(2-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-[(2-fluoro-4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetamide is sourced from PubChem (CID 10301876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).