methyl 2-amino-3-(4-methoxybenzoyl)benzoate

C16H15NO4 — CID 18694348

IUPACmethyl 2-amino-3-(4-methoxybenzoyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)c2ccc(OC)cc2)c1N
InChIInChI=1S/C16H15NO4/c1-20-11-8-6-10(7-9-11)15(18)12-4-3-5-13(14(12)17)16(19)21-2/h3-9H,17H2,1-2H3
InChIKeyMWXBKOWFRAEEKZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.30
Rot. Bonds4

About methyl 2-amino-3-(4-methoxybenzoyl)benzoate

methyl 2-amino-3-(4-methoxybenzoyl)benzoate (PubChem CID 18694348) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-amino-3-(4-methoxybenzoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-methoxybenzoyl)benzoate
PubChem CID18694348
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 2-amino-3-(4-methoxybenzoyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)c2ccc(OC)cc2)c1N
InChIInChI=1S/C16H15NO4/c1-20-11-8-6-10(7-9-11)15(18)12-4-3-5-13(14(12)17)16(19)21-2/h3-9H,17H2,1-2H3
InChIKeyMWXBKOWFRAEEKZ-UHFFFAOYSA-N
XLogP2.30
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931
methyl 2-amino-3-(4-methoxyanilino)benzoate
CID 115544118
methyl 2-amino-3-(4-methoxy-N-methylanilino)benzoate
CID 115545752
2-amino-3-methoxycarbonylbenzoic acid
CID 2794812
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate
CID 19894835
methyl 2-amino-3-propanoylbenzoate
CID 134648415
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513
methyl 3-amino-2-(4-methoxyanilino)benzoate
CID 115933795
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-methoxybenzoyl)benzoate?
The IUPAC name of methyl 2-amino-3-(4-methoxybenzoyl)benzoate (CID 18694348) is methyl 2-amino-3-(4-methoxybenzoyl)benzoate.
What is the SMILES notation for methyl 2-amino-3-(4-methoxybenzoyl)benzoate?
The canonical SMILES for methyl 2-amino-3-(4-methoxybenzoyl)benzoate is COC(=O)c1cccc(C(=O)c2ccc(OC)cc2)c1N.
What is the InChIKey of methyl 2-amino-3-(4-methoxybenzoyl)benzoate?
The InChIKey is MWXBKOWFRAEEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-11-8-6-10(7-9-11)15(18)12-4-3-5-13(14(12)17)16(19)21-2/h3-9H,17H2,1-2H3.
What are the key properties of methyl 2-amino-3-(4-methoxybenzoyl)benzoate?
methyl 2-amino-3-(4-methoxybenzoyl)benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-methoxybenzoyl)benzoate is sourced from PubChem (CID 18694348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).