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

C18H22N2O — CID 27746793

IUPAC4-methyl-N-[3-(N-methylanilino)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-9-11-16(12-10-15)18(21)19-13-6-14-20(2)17-7-4-3-5-8-17/h3-5,7-12H,6,13-14H2,1-2H3,(H,19,21)
InChIKeyFWYYOJMKCFQQPU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.25
Rot. Bonds6

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

4-methyl-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 27746793) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-methyl-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID27746793
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-methyl-N-[3-(N-methylanilino)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-9-11-16(12-10-15)18(21)19-13-6-14-20(2)17-7-4-3-5-8-17/h3-5,7-12H,6,13-14H2,1-2H3,(H,19,21)
InChIKeyFWYYOJMKCFQQPU-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
CID 27746715
2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
CID 112810441
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 17422605
6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 37315939
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764046

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 4-methyl-N-[3-(N-methylanilino)propyl]benzamide (CID 27746793) is 4-methyl-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-(N-methylanilino)propyl]benzamide is Cc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is FWYYOJMKCFQQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-9-11-16(12-10-15)18(21)19-13-6-14-20(2)17-7-4-3-5-8-17/h3-5,7-12H,6,13-14H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-[3-(N-methylanilino)propyl]benzamide?
4-methyl-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 27746793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).