1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide

C28H28N2O4 — CID 17113421

IUPAC1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
SMILESC=C(C)COc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2OCC(=C)C)cc1
InChIInChI=1S/C28H28N2O4/c1-19(2)17-33-25-11-7-5-9-23(25)29-27(31)21-13-15-22(16-14-21)28(32)30-24-10-6-8-12-26(24)34-18-20(3)4/h5-16H,1,3,17-18H2,2,4H3,(H,29,31)(H,30,32)
InChIKeyVLGBYYXJONXXNT-UHFFFAOYSA-N
MW456.54 g/mol
LogP6.10
Rot. Bonds10

About 1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide (PubChem CID 17113421) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
PubChem CID17113421
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
SMILESC=C(C)COc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2OCC(=C)C)cc1
InChIInChI=1S/C28H28N2O4/c1-19(2)17-33-25-11-7-5-9-23(25)29-27(31)21-13-15-22(16-14-21)28(32)30-24-10-6-8-12-26(24)34-18-20(3)4/h5-16H,1,3,17-18H2,2,4H3,(H,29,31)(H,30,32)
InChIKeyVLGBYYXJONXXNT-UHFFFAOYSA-N
XLogP6.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17113262
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17113228
N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17177776
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131528
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-pentoxybenzamide
CID 17113361
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960
1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide
CID 131895828
2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810416
2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide
CID 17113349

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide (CID 17113421) is 1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide is C=C(C)COc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2OCC(=C)C)cc1.
What is the InChIKey of 1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is VLGBYYXJONXXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-19(2)17-33-25-11-7-5-9-23(25)29-27(31)21-13-15-22(16-14-21)28(32)30-24-10-6-8-12-26(24)34-18-20(3)4/h5-16H,1,3,17-18H2,2,4H3,(H,29,31)(H,30,32).
What are the key properties of 1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 456.54 g/mol, XLogP of 6.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 17113421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).