1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide

C25H26N2O5 — CID 141155437

IUPAC1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OC)c(C(=O)Nc2ccccc2OCC)c1
InChIInChI=1S/C25H26N2O5/c1-4-31-22-12-8-6-10-19(22)26-24(28)17-14-15-21(30-3)18(16-17)25(29)27-20-11-7-9-13-23(20)32-5-2/h6-16H,4-5H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyPEVMPLNKOQECSN-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.00
Rot. Bonds9

About 1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide

1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 141155437) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
PubChem CID141155437
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OC)c(C(=O)Nc2ccccc2OCC)c1
InChIInChI=1S/C25H26N2O5/c1-4-31-22-12-8-6-10-19(22)26-24(28)17-14-15-21(30-3)18(16-17)25(29)27-20-11-7-9-13-23(20)32-5-2/h6-16H,4-5H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyPEVMPLNKOQECSN-UHFFFAOYSA-N
XLogP5.00
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
4-ethoxy-3-methoxy-N-(2-phenoxyphenyl)benzamide
CID 24583790
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
2-ethoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522658
N-(2-ethoxyphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9192356
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
6-(2-ethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109164093
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide
CID 17134058

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide (CID 141155437) is 1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide is CCOc1ccccc1NC(=O)c1ccc(OC)c(C(=O)Nc2ccccc2OCC)c1.
What is the InChIKey of 1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is PEVMPLNKOQECSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-4-31-22-12-8-6-10-19(22)26-24(28)17-14-15-21(30-3)18(16-17)25(29)27-20-11-7-9-13-23(20)32-5-2/h6-16H,4-5H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide?
1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide has a molecular weight of 434.49 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 141155437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).