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

C18H22N2O — CID 14872050

IUPACN-methyl-N-[3-(4-methylanilino)propyl]benzamide
SMILESCc1ccc(NCCCN(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-9-11-17(12-10-15)19-13-6-14-20(2)18(21)16-7-4-3-5-8-16/h3-5,7-12,19H,6,13-14H2,1-2H3
InChIKeyCPLUOBZGAFPHFM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.57
Rot. Bonds6

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

N-methyl-N-[3-(4-methylanilino)propyl]benzamide (PubChem CID 14872050) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-N-[3-(4-methylanilino)propyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[3-(4-methylanilino)propyl]benzamide
PubChem CID14872050
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-methyl-N-[3-(4-methylanilino)propyl]benzamide
SMILESCc1ccc(NCCCN(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-9-11-17(12-10-15)19-13-6-14-20(2)18(21)16-7-4-3-5-8-16/h3-5,7-12,19H,6,13-14H2,1-2H3
InChIKeyCPLUOBZGAFPHFM-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
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-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide
CID 107201178
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N-(5-bromopentyl)-N,4-dimethylbenzamide
CID 107206029
2-(4-methylanilino)-1-phenylethanone
CID 4230722
N-(2-aminoethyl)-N-methylbenzamide
CID 28707416
tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
CID 167260960
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
3-[methyl-(4-methylbenzoyl)amino]propyl hydrogen sulfite
CID 156742248
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide
CID 10634314

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(4-methylanilino)propyl]benzamide?
The IUPAC name of N-methyl-N-[3-(4-methylanilino)propyl]benzamide (CID 14872050) is N-methyl-N-[3-(4-methylanilino)propyl]benzamide.
What is the SMILES notation for N-methyl-N-[3-(4-methylanilino)propyl]benzamide?
The canonical SMILES for N-methyl-N-[3-(4-methylanilino)propyl]benzamide is Cc1ccc(NCCCN(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[3-(4-methylanilino)propyl]benzamide?
The InChIKey is CPLUOBZGAFPHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-9-11-17(12-10-15)19-13-6-14-20(2)18(21)16-7-4-3-5-8-16/h3-5,7-12,19H,6,13-14H2,1-2H3.
What are the key properties of N-methyl-N-[3-(4-methylanilino)propyl]benzamide?
N-methyl-N-[3-(4-methylanilino)propyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(4-methylanilino)propyl]benzamide is sourced from PubChem (CID 14872050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).