4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide

C24H21N3O2 — CID 178070557

IUPAC4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)N(C)Cc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-17-3-13-22(14-4-17)26-23(28)20-9-11-21(12-10-20)24(29)27(2)16-19-7-5-18(15-25)6-8-19/h3-14H,16H2,1-2H3,(H,26,28)
InChIKeyRKPSADNMJUCNGL-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.39
Rot. Bonds5

About 4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide

4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 178070557) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID178070557
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)N(C)Cc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-17-3-13-22(14-4-17)26-23(28)20-9-11-21(12-10-20)24(29)27(2)16-19-7-5-18(15-25)6-8-19/h3-14H,16H2,1-2H3,(H,26,28)
InChIKeyRKPSADNMJUCNGL-UHFFFAOYSA-N
XLogP4.39
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 178070523
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048122
4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
CID 55593914
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 51244601
N-(3-amino-2,2-dimethylpropyl)-N-[(4-benzamidophenyl)methyl]-4-cyanobenzamide
CID 23824787
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
methyl 2-[4-[(4-cyanobenzoyl)amino]phenyl]acetate
CID 36829844
3-bromo-N-[(4-cyanophenyl)methyl]-N,4-dimethylbenzamide
CID 79459673

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide (CID 178070557) is 4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide is Cc1ccc(NC(=O)c2ccc(C(=O)N(C)Cc3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of 4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is RKPSADNMJUCNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17-3-13-22(14-4-17)26-23(28)20-9-11-21(12-10-20)24(29)27(2)16-19-7-5-18(15-25)6-8-19/h3-14H,16H2,1-2H3,(H,26,28).
What are the key properties of 4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 178070557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).