N-methyl-4-[(4-propylanilino)methyl]benzamide

C18H22N2O — CID 60980914

IUPACN-methyl-4-[(4-propylanilino)methyl]benzamide
SMILESCCCc1ccc(NCc2ccc(C(=O)NC)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-3-4-14-7-11-17(12-8-14)20-13-15-5-9-16(10-6-15)18(21)19-2/h5-12,20H,3-4,13H2,1-2H3,(H,19,21)
InChIKeyCNGBXEKMBJHEQU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.61
Rot. Bonds6

About N-methyl-4-[(4-propylanilino)methyl]benzamide

N-methyl-4-[(4-propylanilino)methyl]benzamide (PubChem CID 60980914) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-4-[(4-propylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(4-propylanilino)methyl]benzamide
PubChem CID60980914
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-methyl-4-[(4-propylanilino)methyl]benzamide
SMILESCCCc1ccc(NCc2ccc(C(=O)NC)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-3-4-14-7-11-17(12-8-14)20-13-15-5-9-16(10-6-15)18(21)19-2/h5-12,20H,3-4,13H2,1-2H3,(H,19,21)
InChIKeyCNGBXEKMBJHEQU-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-methyl-4-[(4-propylanilino)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide
CID 60985488
4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide
CID 60961314
4-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]-N-methylbenzamide
CID 60984866
N'-hydroxy-4-propylbenzohydrazide
CID 18359035
N-ethyl-4-[(4-methoxyphenyl)methylamino]benzamide
CID 43728493
4-[[2-(4-butylphenyl)acetyl]amino]-N-methylbenzamide
CID 29442727
[4-(methylamino)phenyl]-(4-propylphenyl)methanone
CID 116917420
N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 107095654
4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
CID 60985220
4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide
CID 114838796
N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide
CID 60961432

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-propylanilino)methyl]benzamide?
The IUPAC name of N-methyl-4-[(4-propylanilino)methyl]benzamide (CID 60980914) is N-methyl-4-[(4-propylanilino)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(4-propylanilino)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(4-propylanilino)methyl]benzamide is CCCc1ccc(NCc2ccc(C(=O)NC)cc2)cc1.
What is the InChIKey of N-methyl-4-[(4-propylanilino)methyl]benzamide?
The InChIKey is CNGBXEKMBJHEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-4-14-7-11-17(12-8-14)20-13-15-5-9-16(10-6-15)18(21)19-2/h5-12,20H,3-4,13H2,1-2H3,(H,19,21).
What are the key properties of N-methyl-4-[(4-propylanilino)methyl]benzamide?
N-methyl-4-[(4-propylanilino)methyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-propylanilino)methyl]benzamide is sourced from PubChem (CID 60980914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).