N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide

C18H22N2O — CID 62179332

IUPACN-[(2-methylphenyl)methyl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCc1ccccc1C
InChIInChI=1S/C18H22N2O/c1-3-12-19-17-11-7-6-10-16(17)18(21)20-13-15-9-5-4-8-14(15)2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyUVBQNPGZDUXCCO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.75
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide

N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide (PubChem CID 62179332) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(propylamino)benzamide
PubChem CID62179332
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(2-methylphenyl)methyl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCc1ccccc1C
InChIInChI=1S/C18H22N2O/c1-3-12-19-17-11-7-6-10-16(17)18(21)20-13-15-9-5-4-8-14(15)2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyUVBQNPGZDUXCCO-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-methylphenyl)methyl]-2-(propylamino)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

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)benzamide
CID 62177273
2-benzamido-N-[(2-methylphenyl)methyl]benzamide
CID 9488926
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide
CID 62841224
2-(2-bromoethylamino)-N-propylbenzamide
CID 11066007
N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
CID 62178281
N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide
CID 113464736
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
CID 106402474
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 114701819

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide (CID 62179332) is N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)NCc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide?
The InChIKey is UVBQNPGZDUXCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-12-19-17-11-7-6-10-16(17)18(21)20-13-15-9-5-4-8-14(15)2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide?
N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide is sourced from PubChem (CID 62179332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).