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

C34H38N2O4 — CID 10230558

IUPAC2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide
SMILESCOc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C34H38N2O4/c1-38-30-18-17-29(33(23-30)39-2)24-36(19-10-20-40-31-16-9-11-26(21-31)22-34(35)37)25-32(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-9,11-18,21,23,32H,10,19-20,22,24-25H2,1-2H3,(H2,35,37)
InChIKeyXMZKYVTYJKSJKG-UHFFFAOYSA-N
MW538.69 g/mol
LogP5.83
Rot. Bonds15

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

2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide (PubChem CID 10230558) has the molecular formula C34H38N2O4 and a molecular weight of 538.69 g/mol. Its IUPAC name is 2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide
PubChem CID10230558
Molecular FormulaC34H38N2O4
Molecular Weight538.69 g/mol
Exact Mass538.28
IUPAC Name2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide
SMILESCOc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C34H38N2O4/c1-38-30-18-17-29(33(23-30)39-2)24-36(19-10-20-40-31-16-9-11-26(21-31)22-34(35)37)25-32(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-9,11-18,21,23,32H,10,19-20,22,24-25H2,1-2H3,(H2,35,37)
InChIKeyXMZKYVTYJKSJKG-UHFFFAOYSA-N
XLogP5.83
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide?
The IUPAC name of 2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide (CID 10230558) is 2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide.
What is the SMILES notation for 2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide?
The canonical SMILES for 2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide is COc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide?
The InChIKey is XMZKYVTYJKSJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O4/c1-38-30-18-17-29(33(23-30)39-2)24-36(19-10-20-40-31-16-9-11-26(21-31)22-34(35)37)25-32(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-9,11-18,21,23,32H,10,19-20,22,24-25H2,1-2H3,(H2,35,37).
What are the key properties of 2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide?
2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide has a molecular weight of 538.69 g/mol, XLogP of 5.83, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide is sourced from PubChem (CID 10230558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).