methyl 2-anilino-4,5-dimethoxybenzoate

C16H17NO4 — CID 71428699

IUPACmethyl 2-anilino-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1Nc1ccccc1
InChIInChI=1S/C16H17NO4/c1-19-14-9-12(16(18)21-3)13(10-15(14)20-2)17-11-7-5-4-6-8-11/h4-10,17H,1-3H3
InChIKeyPYMMKEZYPXHHHP-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.23
Rot. Bonds5

About methyl 2-anilino-4,5-dimethoxybenzoate

methyl 2-anilino-4,5-dimethoxybenzoate (PubChem CID 71428699) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-anilino-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-anilino-4,5-dimethoxybenzoate
PubChem CID71428699
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 2-anilino-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1Nc1ccccc1
InChIInChI=1S/C16H17NO4/c1-19-14-9-12(16(18)21-3)13(10-15(14)20-2)17-11-7-5-4-6-8-11/h4-10,17H,1-3H3
InChIKeyPYMMKEZYPXHHHP-UHFFFAOYSA-N
XLogP3.23
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-anilino-5-methylbenzene-1,4-dicarboxylate
CID 59019297
methyl 5-acetyl-2-anilino-4-phenoxybenzoate
CID 11089732
2,4,5-trimethoxy-N-phenylaniline
CID 151522704
methyl 2-[(2-chloroquinazolin-4-yl)amino]-4,5-dimethoxybenzoate
CID 134098397
dimethyl 2,5-bis(4-fluoroanilino)benzene-1,4-dicarboxylate
CID 21058668
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
methyl 3-anilinopyridine-4-carboxylate
CID 14221935
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
4,5-dimethoxy-2-nitro-N-phenylaniline
CID 22004113
2-methoxy-N-phenylaniline
CID 10910514
methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 2480010
methyl 2-[[2-(2-ethoxyphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
CID 7917770

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-anilino-4,5-dimethoxybenzoate (CID 71428699) is methyl 2-anilino-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-anilino-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-anilino-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1Nc1ccccc1.
What is the InChIKey of methyl 2-anilino-4,5-dimethoxybenzoate?
The InChIKey is PYMMKEZYPXHHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-14-9-12(16(18)21-3)13(10-15(14)20-2)17-11-7-5-4-6-8-11/h4-10,17H,1-3H3.
What are the key properties of methyl 2-anilino-4,5-dimethoxybenzoate?
methyl 2-anilino-4,5-dimethoxybenzoate has a molecular weight of 287.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilino-4,5-dimethoxybenzoate is sourced from PubChem (CID 71428699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).