1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide

C22H20N2O2 — CID 144544385

IUPAC1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide
SMILESCN(C(=O)C1=CCC=C(C(=O)Nc2ccccc2)C=C1)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-24(20-13-6-3-7-14-20)22(26)18-10-8-9-17(15-16-18)21(25)23-19-11-4-2-5-12-19/h2-7,9-16H,8H2,1H3,(H,23,25)
InChIKeyCUOKUCMMIFBNDH-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.10
Rot. Bonds4

About 1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide

1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide (PubChem CID 144544385) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide
PubChem CID144544385
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide
SMILESCN(C(=O)C1=CCC=C(C(=O)Nc2ccccc2)C=C1)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-24(20-13-6-3-7-14-20)22(26)18-10-8-9-17(15-16-18)21(25)23-19-11-4-2-5-12-19/h2-7,9-16H,8H2,1H3,(H,23,25)
InChIKeyCUOKUCMMIFBNDH-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100104
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17230224
2-N-methyl-4-N-(4-methylphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091261
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17230299
methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109100281
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
4-N-(4-chlorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091489
3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840259
4-(cyclopropanecarbonylcarbamothioylamino)-N-methyl-N-phenylbenzamide
CID 17230398
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17227914

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide?
The IUPAC name of 1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide (CID 144544385) is 1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide?
The canonical SMILES for 1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide is CN(C(=O)C1=CCC=C(C(=O)Nc2ccccc2)C=C1)c1ccccc1.
What is the InChIKey of 1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide?
The InChIKey is CUOKUCMMIFBNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-24(20-13-6-3-7-14-20)22(26)18-10-8-9-17(15-16-18)21(25)23-19-11-4-2-5-12-19/h2-7,9-16H,8H2,1H3,(H,23,25).
What are the key properties of 1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide?
1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide has a molecular weight of 344.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide is sourced from PubChem (CID 144544385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).