methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate

C22H19NO4 — CID 108768055

IUPACmethyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C22H19NO4/c1-27-22(26)17-13-8-14-18(20(17)24)23-21(25)19(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14,19,24H,1H3,(H,23,25)
InChIKeyBCDWBANXVYPTDH-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.95
Rot. Bonds5

About methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate

methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate (PubChem CID 108768055) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate
PubChem CID108768055
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namemethyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C22H19NO4/c1-27-22(26)17-13-8-14-18(20(17)24)23-21(25)19(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14,19,24H,1H3,(H,23,25)
InChIKeyBCDWBANXVYPTDH-UHFFFAOYSA-N
XLogP3.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
methyl 2-(2-phenylpropanoylamino)benzoate
CID 68817246
methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate
CID 10493506
methyl 3-(2,2-dimethylpropanoylamino)-2-hydroxybenzoate
CID 23520841
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate
CID 108768060
methyl 2-hydroxy-3-(3-methylbutanoylamino)benzoate
CID 108768054
2-[(2,2-diphenylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 990917
methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106
methyl 2-hydroxy-3-(hydroxymethyl)benzoate
CID 54246985
methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate
CID 7166897
methyl 3-[3-(2-chlorophenyl)propanoylamino]-2-hydroxybenzoate
CID 56543246
methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543416

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate?
The IUPAC name of methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate (CID 108768055) is methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate is COC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate?
The InChIKey is BCDWBANXVYPTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-27-22(26)17-13-8-14-18(20(17)24)23-21(25)19(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14,19,24H,1H3,(H,23,25).
What are the key properties of methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate?
methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate has a molecular weight of 361.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate is sourced from PubChem (CID 108768055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).