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

C28H30N4O4 — CID 17188207

IUPAC1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)cc2)cc1
InChIInChI=1S/C28H30N4O4/c1-17(2)25(33)29-21-9-13-23(14-10-21)31-27(35)19-5-7-20(8-6-19)28(36)32-24-15-11-22(12-16-24)30-26(34)18(3)4/h5-18H,1-4H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)
InChIKeyJGEUHZWTOASQIK-UHFFFAOYSA-N
MW486.57 g/mol
LogP5.38
Rot. Bonds8

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

1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide (PubChem CID 17188207) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
PubChem CID17188207
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)cc2)cc1
InChIInChI=1S/C28H30N4O4/c1-17(2)25(33)29-21-9-13-23(14-10-21)31-27(35)19-5-7-20(8-6-19)28(36)32-24-15-11-22(12-16-24)30-26(34)18(3)4/h5-18H,1-4H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)
InChIKeyJGEUHZWTOASQIK-UHFFFAOYSA-N
XLogP5.38
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 55.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-phenylethynyl)benzamide
CID 39723048
N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide
CID 86857816
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide (CID 17188207) is 1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide is CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is JGEUHZWTOASQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-17(2)25(33)29-21-9-13-23(14-10-21)31-27(35)19-5-7-20(8-6-19)28(36)32-24-15-11-22(12-16-24)30-26(34)18(3)4/h5-18H,1-4H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36).
What are the key properties of 1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 486.57 g/mol, XLogP of 5.38, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 17188207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).