methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate

C22H19NO5 — CID 56576232

IUPACmethyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1O
InChIInChI=1S/C22H19NO5/c1-27-22(26)18-8-5-9-19(20(18)24)23-21(25)16-10-12-17(13-11-16)28-14-15-6-3-2-4-7-15/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyLFXMRVDIYCQVBC-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.01
Rot. Bonds6

About methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate

methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate (PubChem CID 56576232) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate
PubChem CID56576232
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Namemethyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1O
InChIInChI=1S/C22H19NO5/c1-27-22(26)18-8-5-9-19(20(18)24)23-21(25)16-10-12-17(13-11-16)28-14-15-6-3-2-4-7-15/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyLFXMRVDIYCQVBC-UHFFFAOYSA-N
XLogP4.01
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate
CID 56543998
methyl 3-[(4-hexoxybenzoyl)amino]-2-hydroxybenzoate
CID 108768094
N,2-dimethyl-3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 46434092
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
N-[2-(butanoylamino)phenyl]-4-phenylmethoxybenzamide
CID 2996611
methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate
CID 56576167
N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 56573149

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate (CID 56576232) is methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1O.
What is the InChIKey of methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate?
The InChIKey is LFXMRVDIYCQVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-27-22(26)18-8-5-9-19(20(18)24)23-21(25)16-10-12-17(13-11-16)28-14-15-6-3-2-4-7-15/h2-13,24H,14H2,1H3,(H,23,25).
What are the key properties of methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate?
methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate has a molecular weight of 377.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 56576232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).