methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate

C23H21NO4 — CID 2995814

IUPACmethyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate
SMILESCOC(=O)c1cccc(COc2ccccc2C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C23H21NO4/c1-16-8-3-5-12-20(16)24-22(25)19-11-4-6-13-21(19)28-15-17-9-7-10-18(14-17)23(26)27-2/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyYHNJAEDNTNRLMS-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.61
Rot. Bonds6

About methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate

methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate (PubChem CID 2995814) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate
PubChem CID2995814
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Namemethyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate
SMILESCOC(=O)c1cccc(COc2ccccc2C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C23H21NO4/c1-16-8-3-5-12-20(16)24-22(25)19-11-4-6-13-21(19)28-15-17-9-7-10-18(14-17)23(26)27-2/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyYHNJAEDNTNRLMS-UHFFFAOYSA-N
XLogP4.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-2-[(3-methylphenyl)methoxy]benzamide
CID 25494578
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
N-(5-chloro-2-methylphenyl)-2-phenylmethoxybenzamide
CID 4946400
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
N-(2-ethyl-6-methylphenyl)-2-phenylmethoxybenzamide
CID 4946399
methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate
CID 10827780
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
methyl 3-[[2-(difluoromethyl)phenoxy]methyl]benzoate
CID 155146099
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175287
N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide
CID 4946343
3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid
CID 167899955

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate?
The IUPAC name of methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate (CID 2995814) is methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate?
The canonical SMILES for methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate is COC(=O)c1cccc(COc2ccccc2C(=O)Nc2ccccc2C)c1.
What is the InChIKey of methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate?
The InChIKey is YHNJAEDNTNRLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-16-8-3-5-12-20(16)24-22(25)19-11-4-6-13-21(19)28-15-17-9-7-10-18(14-17)23(26)27-2/h3-14H,15H2,1-2H3,(H,24,25).
What are the key properties of methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate?
methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate has a molecular weight of 375.42 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate is sourced from PubChem (CID 2995814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).