3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide

C32H34N2O3 — CID 10278330

IUPAC3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide
SMILESCOc1ccc(CN(CCCOc2cccc(C(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H34N2O3/c1-36-29-18-16-25(17-19-29)23-34(20-9-21-37-30-15-8-14-28(22-30)32(33)35)24-31(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-8,10-19,22,31H,9,20-21,23-24H2,1H3,(H2,33,35)
InChIKeyDLZAEQUGCHBQCU-UHFFFAOYSA-N
MW494.64 g/mol
LogP5.90
Rot. Bonds13

About 3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide

3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide (PubChem CID 10278330) has the molecular formula C32H34N2O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is 3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide.

Molecular Properties

Compound Name3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide
PubChem CID10278330
Molecular FormulaC32H34N2O3
Molecular Weight494.64 g/mol
Exact Mass494.26
IUPAC Name3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide
SMILESCOc1ccc(CN(CCCOc2cccc(C(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H34N2O3/c1-36-29-18-16-25(17-19-29)23-34(20-9-21-37-30-15-8-14-28(22-30)32(33)35)24-31(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-8,10-19,22,31H,9,20-21,23-24H2,1H3,(H2,33,35)
InChIKeyDLZAEQUGCHBQCU-UHFFFAOYSA-N
XLogP5.90
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.90
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

methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate
CID 10165098
3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide
CID 55733850
3-(2-phenylethoxy)benzamide
CID 17135006
3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide
CID 10165483
1-(dibenzylamino)propan-2-yl 3-methoxybenzoate
CID 3968111
3-(6-bromohexoxy)benzamide
CID 59402930
3-(10-bromodecoxy)benzamide
CID 59402968
2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide
CID 10207449
3-propoxybenzamide
CID 22311435
2-[6-[2-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]ethyl]cyclopenta[c]pyran-7-yl]acetic acid
CID 90757183
3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687005
2-[[3-(3-hydroxypropoxy)phenyl]methyl-(1-phenylethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 66885405

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide?
The IUPAC name of 3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide (CID 10278330) is 3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide.
What is the SMILES notation for 3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide?
The canonical SMILES for 3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide is COc1ccc(CN(CCCOc2cccc(C(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide?
The InChIKey is DLZAEQUGCHBQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3/c1-36-29-18-16-25(17-19-29)23-34(20-9-21-37-30-15-8-14-28(22-30)32(33)35)24-31(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-8,10-19,22,31H,9,20-21,23-24H2,1H3,(H2,33,35).
What are the key properties of 3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide?
3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide has a molecular weight of 494.64 g/mol, XLogP of 5.90, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide is sourced from PubChem (CID 10278330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).