3-methyl-4-[(3-methylanilino)methyl]benzamide

C16H18N2O — CID 114479536

IUPAC3-methyl-4-[(3-methylanilino)methyl]benzamide
SMILESCc1cccc(NCc2ccc(C(N)=O)cc2C)c1
InChIInChI=1S/C16H18N2O/c1-11-4-3-5-15(8-11)18-10-14-7-6-13(16(17)19)9-12(14)2/h3-9,18H,10H2,1-2H3,(H2,17,19)
InChIKeySQWIOKKZIUWHFX-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.01
Rot. Bonds4

About 3-methyl-4-[(3-methylanilino)methyl]benzamide

3-methyl-4-[(3-methylanilino)methyl]benzamide (PubChem CID 114479536) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-methyl-4-[(3-methylanilino)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(3-methylanilino)methyl]benzamide
PubChem CID114479536
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-methyl-4-[(3-methylanilino)methyl]benzamide
SMILESCc1cccc(NCc2ccc(C(N)=O)cc2C)c1
InChIInChI=1S/C16H18N2O/c1-11-4-3-5-15(8-11)18-10-14-7-6-13(16(17)19)9-12(14)2/h3-9,18H,10H2,1-2H3,(H2,17,19)
InChIKeySQWIOKKZIUWHFX-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(anilinomethyl)-3-methylbenzamide
CID 114479545
4-[(3-iodoanilino)methyl]-3-methylbenzamide
CID 114479793
4-[(3-methylanilino)methyl]benzamide
CID 28564307
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
3-methyl-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930103
methyl 3-bromo-4-[(3-methylanilino)methyl]benzoate
CID 102766392
3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
CID 102663918
4-[(2-cyano-3-methylanilino)methyl]-3-methylbenzamide
CID 107804479
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
3-[(2,4,6-trimethylphenyl)methylamino]benzamide
CID 28650483
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
2-[2-[(3-methylanilino)methyl]phenyl]acetic acid
CID 115461361

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methylanilino)methyl]benzamide?
The IUPAC name of 3-methyl-4-[(3-methylanilino)methyl]benzamide (CID 114479536) is 3-methyl-4-[(3-methylanilino)methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[(3-methylanilino)methyl]benzamide?
The canonical SMILES for 3-methyl-4-[(3-methylanilino)methyl]benzamide is Cc1cccc(NCc2ccc(C(N)=O)cc2C)c1.
What is the InChIKey of 3-methyl-4-[(3-methylanilino)methyl]benzamide?
The InChIKey is SQWIOKKZIUWHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-4-3-5-15(8-11)18-10-14-7-6-13(16(17)19)9-12(14)2/h3-9,18H,10H2,1-2H3,(H2,17,19).
What are the key properties of 3-methyl-4-[(3-methylanilino)methyl]benzamide?
3-methyl-4-[(3-methylanilino)methyl]benzamide has a molecular weight of 254.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methylanilino)methyl]benzamide is sourced from PubChem (CID 114479536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).