[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate

C23H22N2O4 — CID 46675498

IUPAC[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate
SMILESCOc1ccc(NC(=O)C(OC(=O)c2cccc(C)c2N)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c1-15-7-6-10-19(20(15)24)23(27)29-21(16-8-4-3-5-9-16)22(26)25-17-11-13-18(28-2)14-12-17/h3-14,21H,24H2,1-2H3,(H,25,26)
InChIKeyUPDPKQNCPXJYFD-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.12
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate

[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate (PubChem CID 46675498) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate
PubChem CID46675498
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate
SMILESCOc1ccc(NC(=O)C(OC(=O)c2cccc(C)c2N)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c1-15-7-6-10-19(20(15)24)23(27)29-21(16-8-4-3-5-9-16)22(26)25-17-11-13-18(28-2)14-12-17/h3-14,21H,24H2,1-2H3,(H,25,26)
InChIKeyUPDPKQNCPXJYFD-UHFFFAOYSA-N
XLogP4.12
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-anilino-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 41013414
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate
CID 46644627
1-O-methyl 2-O-[2-(4-methylanilino)-2-oxo-1-phenylethyl] benzene-1,2-dicarboxylate
CID 56506522
(1-anilino-1-oxobutan-2-yl) 2-amino-3-methylbenzoate
CID 18122534
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7486928
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,3-dimethoxybenzoate
CID 2515766
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-methoxynaphthalene-2-carboxylate
CID 4104730
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 46675040
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3-methoxynaphthalene-2-carboxylate
CID 26916536
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 2-chlorobenzoate
CID 2406103
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methylphenyl)acetate
CID 46645502
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011333

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate (CID 46675498) is [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate is COc1ccc(NC(=O)C(OC(=O)c2cccc(C)c2N)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate?
The InChIKey is UPDPKQNCPXJYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-7-6-10-19(20(15)24)23(27)29-21(16-8-4-3-5-9-16)22(26)25-17-11-13-18(28-2)14-12-17/h3-14,21H,24H2,1-2H3,(H,25,26).
What are the key properties of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate?
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate has a molecular weight of 390.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate is sourced from PubChem (CID 46675498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).