4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene

C28H37NO2 — CID 143365763

IUPAC4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene
SMILESCC.CC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1.CCC.Cc1ccccc1
InChIInChI=1S/C16H15NO2.C7H8.C3H8.C2H6/c1-12(18)13-8-10-14(11-9-13)16(19)17(2)15-6-4-3-5-7-15;1-7-5-3-2-4-6-7;1-3-2;1-2/h3-11H,1-2H3;2-6H,1H3;3H2,1-2H3;1-2H3
InChIKeyDFHKLJUQLSUTQS-UHFFFAOYSA-N
MW419.61 g/mol
LogP7.60
Rot. Bonds3

About 4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene

4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene (PubChem CID 143365763) has the molecular formula C28H37NO2 and a molecular weight of 419.61 g/mol. Its IUPAC name is 4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene.

Molecular Properties

Compound Name4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene
PubChem CID143365763
Molecular FormulaC28H37NO2
Molecular Weight419.61 g/mol
Exact Mass419.28
IUPAC Name4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene
SMILESCC.CC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1.CCC.Cc1ccccc1
InChIInChI=1S/C16H15NO2.C7H8.C3H8.C2H6/c1-12(18)13-8-10-14(11-9-13)16(19)17(2)15-6-4-3-5-7-15;1-7-5-3-2-4-6-7;1-3-2;1-2/h3-11H,1-2H3;2-6H,1H3;3H2,1-2H3;1-2H3
InChIKeyDFHKLJUQLSUTQS-UHFFFAOYSA-N
XLogP7.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.61
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-acetamido-N-methyl-N-phenylbenzamide
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1-(4-methylphenyl)ethanone;pentan-2-one;toluene
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1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
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4-isocyano-N-methyl-N-phenylbenzamide
CID 58453064
N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
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CID 90825251

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene?
The IUPAC name of 4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene (CID 143365763) is 4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene.
What is the SMILES notation for 4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene?
The canonical SMILES for 4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene is CC.CC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1.CCC.Cc1ccccc1.
What is the InChIKey of 4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene?
The InChIKey is DFHKLJUQLSUTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2.C7H8.C3H8.C2H6/c1-12(18)13-8-10-14(11-9-13)16(19)17(2)15-6-4-3-5-7-15;1-7-5-3-2-4-6-7;1-3-2;1-2/h3-11H,1-2H3;2-6H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene?
4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene has a molecular weight of 419.61 g/mol, XLogP of 7.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene is sourced from PubChem (CID 143365763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).