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

C34H37NO4 — CID 10165098

IUPACmethyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate
SMILESCOC(=O)Cc1cccc(OCCCN(Cc2ccc(OC)cc2)CC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C34H37NO4/c1-37-31-19-17-27(18-20-31)25-35(21-10-22-39-32-16-9-11-28(23-32)24-34(36)38-2)26-33(29-12-5-3-6-13-29)30-14-7-4-8-15-30/h3-9,11-20,23,33H,10,21-22,24-26H2,1-2H3
InChIKeyRVUGLDRPUFGNKP-UHFFFAOYSA-N
MW523.67 g/mol
LogP6.51
Rot. Bonds14

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

methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate (PubChem CID 10165098) has the molecular formula C34H37NO4 and a molecular weight of 523.67 g/mol. Its IUPAC name is methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate
PubChem CID10165098
Molecular FormulaC34H37NO4
Molecular Weight523.67 g/mol
Exact Mass523.27
IUPAC Namemethyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate
SMILESCOC(=O)Cc1cccc(OCCCN(Cc2ccc(OC)cc2)CC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C34H37NO4/c1-37-31-19-17-27(18-20-31)25-35(21-10-22-39-32-16-9-11-28(23-32)24-34(36)38-2)26-33(29-12-5-3-6-13-29)30-14-7-4-8-15-30/h3-9,11-20,23,33H,10,21-22,24-26H2,1-2H3
InChIKeyRVUGLDRPUFGNKP-UHFFFAOYSA-N
XLogP6.51
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.67
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide
CID 10278330
methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate
CID 153300961
methyl 2-[3-[3-[2,2-bis(3-fluorophenyl)ethylamino]propoxy]phenyl]acetate
CID 68993184
methyl 2-[3-(2-hydroxyethoxy)phenyl]acetate
CID 134821202
2-[3-[3-[(2,4-dimethoxyphenyl)methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]acetic acid;hydrochloride
CID 68981107
2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-(1-methoxypropan-2-yl)acetamide
CID 10009845
2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-ethylacetamide
CID 10372017
2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide
CID 10207449
2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide
CID 10116944
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
2-[3-[3-[[(2R)-2-phenylpropyl]-[(2,4,5-trifluorophenyl)methyl]amino]propoxy]phenyl]acetic acid
CID 59701448
3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687005

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate?
The IUPAC name of methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate (CID 10165098) is methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate is COC(=O)Cc1cccc(OCCCN(Cc2ccc(OC)cc2)CC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate?
The InChIKey is RVUGLDRPUFGNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO4/c1-37-31-19-17-27(18-20-31)25-35(21-10-22-39-32-16-9-11-28(23-32)24-34(36)38-2)26-33(29-12-5-3-6-13-29)30-14-7-4-8-15-30/h3-9,11-20,23,33H,10,21-22,24-26H2,1-2H3.
What are the key properties of methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate?
methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate has a molecular weight of 523.67 g/mol, XLogP of 6.51, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate is sourced from PubChem (CID 10165098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).