methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate

C23H21NO4 — CID 7981645

IUPACmethyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H21NO4/c1-27-23(26)19-13-11-18(12-14-19)16-28-21-10-6-5-9-20(21)22(25)24-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyZOXCHDUJLZXBFA-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.98
Rot. Bonds7

About methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate

methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate (PubChem CID 7981645) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
PubChem CID7981645
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Namemethyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H21NO4/c1-27-23(26)19-13-11-18(12-14-19)16-28-21-10-6-5-9-20(21)22(25)24-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyZOXCHDUJLZXBFA-UHFFFAOYSA-N
XLogP3.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-benzyl-2-[(4-carbamoylphenyl)methoxy]benzamide
CID 17465507
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
methyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 9172369
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide
CID 101429178
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate
CID 7919593
methyl 4-[[2-[3-(benzylamino)-2-(benzylcarbamoyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 4654190
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
methyl 4-[[3-aminopropyl-(2-phenylmethoxybenzoyl)amino]methyl]benzoate
CID 143404942

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate (CID 7981645) is methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate is COC(=O)c1ccc(COc2ccccc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate?
The InChIKey is ZOXCHDUJLZXBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-27-23(26)19-13-11-18(12-14-19)16-28-21-10-6-5-9-20(21)22(25)24-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,25).
What are the key properties of methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate?
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate has a molecular weight of 375.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate is sourced from PubChem (CID 7981645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).