1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide

C38H34N4O4 — CID 4945134

IUPAC1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(C)c(C)c3)cc2)cc1C
InChIInChI=1S/C38H34N4O4/c1-23-13-19-29(21-25(23)3)39-37(45)31-9-5-7-11-33(31)41-35(43)27-15-17-28(18-16-27)36(44)42-34-12-8-6-10-32(34)38(46)40-30-20-14-24(2)26(4)22-30/h5-22H,1-4H3,(H,39,45)(H,40,46)(H,41,43)(H,42,44)
InChIKeyRCMNXLMVQMBWCA-UHFFFAOYSA-N
MW610.71 g/mol
LogP7.93
Rot. Bonds8

About 1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide (PubChem CID 4945134) has the molecular formula C38H34N4O4 and a molecular weight of 610.71 g/mol. Its IUPAC name is 1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
PubChem CID4945134
Molecular FormulaC38H34N4O4
Molecular Weight610.71 g/mol
Exact Mass610.26
IUPAC Name1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(C)c(C)c3)cc2)cc1C
InChIInChI=1S/C38H34N4O4/c1-23-13-19-29(21-25(23)3)39-37(45)31-9-5-7-11-33(31)41-35(43)27-15-17-28(18-16-27)36(44)42-34-12-8-6-10-32(34)38(46)40-30-20-14-24(2)26(4)22-30/h5-22H,1-4H3,(H,39,45)(H,40,46)(H,41,43)(H,42,44)
InChIKeyRCMNXLMVQMBWCA-UHFFFAOYSA-N
XLogP7.93
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.71
LogP ≤ 57.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 4944335
2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 2990559
N,N'-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]hexanediamide
CID 4945136
4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049652
N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 4944387
methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate
CID 28637999
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
N-(3,4-dimethylphenyl)-2-[[2-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17355422
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide
CID 4944581
5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide
CID 17094295
N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide
CID 4948024

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide (CID 4945134) is 1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(C)c(C)c3)cc2)cc1C.
What is the InChIKey of 1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide?
The InChIKey is RCMNXLMVQMBWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O4/c1-23-13-19-29(21-25(23)3)39-37(45)31-9-5-7-11-33(31)41-35(43)27-15-17-28(18-16-27)36(44)42-34-12-8-6-10-32(34)38(46)40-30-20-14-24(2)26(4)22-30/h5-22H,1-4H3,(H,39,45)(H,40,46)(H,41,43)(H,42,44).
What are the key properties of 1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide has a molecular weight of 610.71 g/mol, XLogP of 7.93, 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[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 4945134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).