dimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate

C20H21NO6 — CID 131953424

IUPACdimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate
SMILESCCOc1ccc(C(C)=O)cc1Nc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C20H21NO6/c1-5-27-18-7-6-13(12(2)22)11-17(18)21-16-9-14(19(23)25-3)8-15(10-16)20(24)26-4/h6-11,21H,5H2,1-4H3
InChIKeyUNAGVZCODUSBMG-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.60
Rot. Bonds7

About dimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate

dimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate (PubChem CID 131953424) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is dimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate
PubChem CID131953424
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Namedimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate
SMILESCCOc1ccc(C(C)=O)cc1Nc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C20H21NO6/c1-5-27-18-7-6-13(12(2)22)11-17(18)21-16-9-14(19(23)25-3)8-15(10-16)20(24)26-4/h6-11,21H,5H2,1-4H3
InChIKeyUNAGVZCODUSBMG-UHFFFAOYSA-N
XLogP3.60
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Proparacaine
CID 4935
Proparacaine Hydrochloride
CID 517321
1,3-Benzenedicarboxylic acid, 5-(2-amino-4-(methoxycarbonyl)phenoxy)-, dimethyl ester
CID 653314
Betoxycaine
CID 19668
3-[(5-Acetyl-2-Ethoxyphenyl)carbamoyl]benzoic Acid
CID 91808023
3-[(4-Butoxybenzoyl)amino]benzoic acid
CID 1712309
Bagremycin B
CID 10447329
Methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate
CID 118626453
4-Methoxy-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester
CID 2338070
2-(4-Methoxyphenyl)ethyl 3-acetamidobenzoate
CID 2662475
N-{2-[2-(4-methoxyphenyl)-2-oxoethoxy]-5-methylphenyl}acetamide
CID 2728500
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate
CID 4081703

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate (CID 131953424) is dimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate is CCOc1ccc(C(C)=O)cc1Nc1cc(C(=O)OC)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate?
The InChIKey is UNAGVZCODUSBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-5-27-18-7-6-13(12(2)22)11-17(18)21-16-9-14(19(23)25-3)8-15(10-16)20(24)26-4/h6-11,21H,5H2,1-4H3.
What are the key properties of dimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate?
dimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate has a molecular weight of 371.39 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(5-acetyl-2-ethoxyanilino)benzene-1,3-dicarboxylate is sourced from PubChem (CID 131953424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).