1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide

C26H28N2O6 — CID 24645019

IUPAC1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(OCC)c(OC)c3)cc2)cc1OC
InChIInChI=1S/C26H28N2O6/c1-5-33-21-13-11-19(15-23(21)31-3)27-25(29)17-7-9-18(10-8-17)26(30)28-20-12-14-22(34-6-2)24(16-20)32-4/h7-16H,5-6H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyPIVSEIRFWHKLOZ-UHFFFAOYSA-N
MW464.52 g/mol
LogP5.01
Rot. Bonds10

About 1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide

1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 24645019) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is 1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID24645019
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Name1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(OCC)c(OC)c3)cc2)cc1OC
InChIInChI=1S/C26H28N2O6/c1-5-33-21-13-11-19(15-23(21)31-3)27-25(29)17-7-9-18(10-8-17)26(30)28-20-12-14-22(34-6-2)24(16-20)32-4/h7-16H,5-6H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyPIVSEIRFWHKLOZ-UHFFFAOYSA-N
XLogP5.01
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
N-(4-ethoxy-3-methoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 9102814
N-(4-ethoxy-3-methoxyphenyl)-6-fluoropyridine-3-carboxamide
CID 63973929
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
CID 9102895

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide (CID 24645019) is 1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide is CCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(OCC)c(OC)c3)cc2)cc1OC.
What is the InChIKey of 1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is PIVSEIRFWHKLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-5-33-21-13-11-19(15-23(21)31-3)27-25(29)17-7-9-18(10-8-17)26(30)28-20-12-14-22(34-6-2)24(16-20)32-4/h7-16H,5-6H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 464.52 g/mol, XLogP of 5.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 24645019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).