methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate

C22H19NO4 — CID 4946351

IUPACmethyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C22H19NO4/c1-26-22(25)17-11-13-18(14-12-17)23-21(24)19-9-5-6-10-20(19)27-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24)
InChIKeyWHIHAUAEBUZHBD-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.30
Rot. Bonds6

About methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate

methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate (PubChem CID 4946351) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
PubChem CID4946351
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namemethyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C22H19NO4/c1-26-22(25)17-11-13-18(14-12-17)23-21(24)19-9-5-6-10-20(19)27-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24)
InChIKeyWHIHAUAEBUZHBD-UHFFFAOYSA-N
XLogP4.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
methyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 9172369
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate
CID 7919593
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate
CID 121427861
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
N-[4-(2-ethoxyethoxy)phenyl]-2-phenylmethoxybenzamide
CID 17130628
2-[(4-fluorophenyl)methoxy]-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887151

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate (CID 4946351) is methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate?
The InChIKey is WHIHAUAEBUZHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-22(25)17-11-13-18(14-12-17)23-21(24)19-9-5-6-10-20(19)27-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate?
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate has a molecular weight of 361.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 4946351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).