ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate

C24H24N2O6 — CID 143026535

IUPACethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate
SMILESCC.COC(=O)c1ccc(-c2ccc([N+](=O)[O-])c(NC(=O)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C22H18N2O6.C2H6/c1-29-18-10-7-15(8-11-18)21(25)23-19-13-17(9-12-20(19)24(27)28)14-3-5-16(6-4-14)22(26)30-2;1-2/h3-13H,1-2H3,(H,23,25);1-2H3
InChIKeyZSJUEEGCZBXOMF-UHFFFAOYSA-N
MW436.46 g/mol
LogP5.34
Rot. Bonds6

About ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate

ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate (PubChem CID 143026535) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate.

Molecular Properties

Compound Nameethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate
PubChem CID143026535
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Nameethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate
SMILESCC.COC(=O)c1ccc(-c2ccc([N+](=O)[O-])c(NC(=O)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C22H18N2O6.C2H6/c1-29-18-10-7-15(8-11-18)21(25)23-19-13-17(9-12-20(19)24(27)28)14-3-5-16(6-4-14)22(26)30-2;1-2/h3-13H,1-2H3,(H,23,25);1-2H3
InChIKeyZSJUEEGCZBXOMF-UHFFFAOYSA-N
XLogP5.34
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-nitro-5-(2H-triazol-4-yl)phenyl]benzamide
CID 59736952
N-[5-(5-formylthiophen-2-yl)-2-nitrophenyl]-4-methoxybenzamide
CID 59737228
N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide
CID 3276898
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426
4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
N-[2-amino-5-(4-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736664
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
methyl 4-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 5080605
dimethyl 5-[(5-methoxy-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 47845357

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate?
The IUPAC name of ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate (CID 143026535) is ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate.
What is the SMILES notation for ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate?
The canonical SMILES for ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate is CC.COC(=O)c1ccc(-c2ccc([N+](=O)[O-])c(NC(=O)c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate?
The InChIKey is ZSJUEEGCZBXOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O6.C2H6/c1-29-18-10-7-15(8-11-18)21(25)23-19-13-17(9-12-20(19)24(27)28)14-3-5-16(6-4-14)22(26)30-2;1-2/h3-13H,1-2H3,(H,23,25);1-2H3.
What are the key properties of ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate?
ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate has a molecular weight of 436.46 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate is sourced from PubChem (CID 143026535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).