5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene

C35H42N2O3 — CID 143365757

IUPAC5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene
SMILESCC.CC.CC(=O)c1cc(C(=O)N(C)c2ccccc2)cc(C(=O)N(C)c2ccccc2)c1.Cc1ccccc1
InChIInChI=1S/C24H22N2O3.C7H8.2C2H6/c1-17(27)18-14-19(23(28)25(2)21-10-6-4-7-11-21)16-20(15-18)24(29)26(3)22-12-8-5-9-13-22;1-7-5-3-2-4-6-7;2*1-2/h4-16H,1-3H3;2-6H,1H3;2*1-2H3
InChIKeyBMWCRXJMPBTTFL-UHFFFAOYSA-N
MW538.73 g/mol
LogP8.49
Rot. Bonds5

About 5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene

5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene (PubChem CID 143365757) has the molecular formula C35H42N2O3 and a molecular weight of 538.73 g/mol. Its IUPAC name is 5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene.

Molecular Properties

Compound Name5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene
PubChem CID143365757
Molecular FormulaC35H42N2O3
Molecular Weight538.73 g/mol
Exact Mass538.32
IUPAC Name5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene
SMILESCC.CC.CC(=O)c1cc(C(=O)N(C)c2ccccc2)cc(C(=O)N(C)c2ccccc2)c1.Cc1ccccc1
InChIInChI=1S/C24H22N2O3.C7H8.2C2H6/c1-17(27)18-14-19(23(28)25(2)21-10-6-4-7-11-21)16-20(15-18)24(29)26(3)22-12-8-5-9-13-22;1-7-5-3-2-4-6-7;2*1-2/h4-16H,1-3H3;2-6H,1H3;2*1-2H3
InChIKeyBMWCRXJMPBTTFL-UHFFFAOYSA-N
XLogP8.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.73
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
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3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide
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3,4-dihydroxy-N-methyl-N-phenylbenzamide
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4-acetamido-N-methyl-N-phenylbenzamide
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3-amino-N,4-dimethyl-N-phenylbenzamide
CID 16771335
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CID 76907328
acetic acid;benzene;ethane;toluene
CID 90764441
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
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CID 26536520

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene?
The IUPAC name of 5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene (CID 143365757) is 5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene.
What is the SMILES notation for 5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene?
The canonical SMILES for 5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene is CC.CC.CC(=O)c1cc(C(=O)N(C)c2ccccc2)cc(C(=O)N(C)c2ccccc2)c1.Cc1ccccc1.
What is the InChIKey of 5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene?
The InChIKey is BMWCRXJMPBTTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3.C7H8.2C2H6/c1-17(27)18-14-19(23(28)25(2)21-10-6-4-7-11-21)16-20(15-18)24(29)26(3)22-12-8-5-9-13-22;1-7-5-3-2-4-6-7;2*1-2/h4-16H,1-3H3;2-6H,1H3;2*1-2H3.
What are the key properties of 5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene?
5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene has a molecular weight of 538.73 g/mol, XLogP of 8.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene is sourced from PubChem (CID 143365757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).