4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide

C21H25NO — CID 144948628

IUPAC4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
SMILESCC(C)=C(C)c1cc(C(=O)NCc2ccccc2C)ccc1C
InChIInChI=1S/C21H25NO/c1-14(2)17(5)20-12-18(11-10-16(20)4)21(23)22-13-19-9-7-6-8-15(19)3/h6-12H,13H2,1-5H3,(H,22,23)
InChIKeyFFODYKMNAQJMQY-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.05
Rot. Bonds4

About 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide

4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 144948628) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
PubChem CID144948628
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
SMILESCC(C)=C(C)c1cc(C(=O)NCc2ccccc2C)ccc1C
InChIInChI=1S/C21H25NO/c1-14(2)17(5)20-12-18(11-10-16(20)4)21(23)22-13-19-9-7-6-8-15(19)3/h6-12H,13H2,1-5H3,(H,22,23)
InChIKeyFFODYKMNAQJMQY-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide
CID 156841315
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide
CID 177366976
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499
4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109044039
4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046836
3-N-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054238
3-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054257

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide (CID 144948628) is 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide is CC(C)=C(C)c1cc(C(=O)NCc2ccccc2C)ccc1C.
What is the InChIKey of 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is FFODYKMNAQJMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-14(2)17(5)20-12-18(11-10-16(20)4)21(23)22-13-19-9-7-6-8-15(19)3/h6-12H,13H2,1-5H3,(H,22,23).
What are the key properties of 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide?
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 307.44 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 144948628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).