methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate

C24H25NO3 — CID 176907071

IUPACmethyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H25NO3/c1-27-24(26)15-21-9-5-6-10-22(21)17-25-16-19-11-13-23(14-12-19)28-18-20-7-3-2-4-8-20/h2-14,25H,15-18H2,1H3
InChIKeyYTVZGPSDERHNPG-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.27
Rot. Bonds9

About methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate

methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate (PubChem CID 176907071) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate
PubChem CID176907071
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Namemethyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H25NO3/c1-27-24(26)15-21-9-5-6-10-22(21)17-25-16-19-11-13-23(14-12-19)28-18-20-7-3-2-4-8-20/h2-14,25H,15-18H2,1H3
InChIKeyYTVZGPSDERHNPG-UHFFFAOYSA-N
XLogP4.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]acetamide
CID 22421272
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
CID 90976255
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
1-[4-(phenoxymethyl)phenyl]-N-[(2-phenylphenyl)methyl]methanamine
CID 141092244
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17207157
methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate
CID 59509332
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate (CID 176907071) is methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate is COC(=O)Cc1ccccc1CNCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate?
The InChIKey is YTVZGPSDERHNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-27-24(26)15-21-9-5-6-10-22(21)17-25-16-19-11-13-23(14-12-19)28-18-20-7-3-2-4-8-20/h2-14,25H,15-18H2,1H3.
What are the key properties of methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate?
methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate has a molecular weight of 375.47 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate is sourced from PubChem (CID 176907071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).