methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate

C24H21NO6 — CID 143837659

IUPACmethyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
SMILESCOC(=O)c1ccc(N(c2ccc(C(=O)OC)cc2)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C24H21NO6/c1-29-22(26)16-4-10-19(11-5-16)25(20-12-6-17(7-13-20)23(27)30-2)21-14-8-18(9-15-21)24(28)31-3/h4-15H,1-3H3
InChIKeyYSPJYGHSDRYWNZ-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.52
Rot. Bonds6

About methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate

methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate (PubChem CID 143837659) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
PubChem CID143837659
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Namemethyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
SMILESCOC(=O)c1ccc(N(c2ccc(C(=O)OC)cc2)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C24H21NO6/c1-29-22(26)16-4-10-19(11-5-16)25(20-12-6-17(7-13-20)23(27)30-2)21-14-8-18(9-15-21)24(28)31-3/h4-15H,1-3H3
InChIKeyYSPJYGHSDRYWNZ-UHFFFAOYSA-N
XLogP4.52
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate
CID 102198007
methyl 4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzoate
CID 134274011
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methyl 4-[4-[(E)-2-pyridin-4-ylethenyl]-N-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]anilino]benzoate
CID 24814387
methyl 4-(N-naphthalen-2-ylanilino)benzoate
CID 165349713
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-[methyl(nitroso)amino]benzoate
CID 72697074
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
methyl 4-[hydroxy(methylsulfonyl)amino]benzoate
CID 102454527
methyl 4-[bis(2-hydroxyethyl)amino]benzoate
CID 14650314
dimethyl 5-(N-phenylanilino)benzene-1,3-dicarboxylate
CID 132511760
methyl 4-methylbenzoate
CID 7455

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate?
The IUPAC name of methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate (CID 143837659) is methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate.
What is the SMILES notation for methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate?
The canonical SMILES for methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate is COC(=O)c1ccc(N(c2ccc(C(=O)OC)cc2)c2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate?
The InChIKey is YSPJYGHSDRYWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-29-22(26)16-4-10-19(11-5-16)25(20-12-6-17(7-13-20)23(27)30-2)21-14-8-18(9-15-21)24(28)31-3/h4-15H,1-3H3.
What are the key properties of methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate?
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate has a molecular weight of 419.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate is sourced from PubChem (CID 143837659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).