N-benzyl-3-[(4-methylphenyl)methylamino]propanamide

C18H22N2O — CID 109018747

IUPACN-benzyl-3-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-7-9-17(10-8-15)13-19-12-11-18(21)20-14-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3,(H,20,21)
InChIKeyIZKBKGNEKPHMJA-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.79
Rot. Bonds7

About N-benzyl-3-[(4-methylphenyl)methylamino]propanamide

N-benzyl-3-[(4-methylphenyl)methylamino]propanamide (PubChem CID 109018747) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-3-[(4-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-methylphenyl)methylamino]propanamide
PubChem CID109018747
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-benzyl-3-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-7-9-17(10-8-15)13-19-12-11-18(21)20-14-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3,(H,20,21)
InChIKeyIZKBKGNEKPHMJA-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
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-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
3-[(4-methylphenyl)methylamino]-N-pentylpropanamide
CID 109019959
N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
CID 109019794
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799
N-benzyl-3-(2-hydroxypropylamino)propanamide
CID 54048354

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-methylphenyl)methylamino]propanamide?
The IUPAC name of N-benzyl-3-[(4-methylphenyl)methylamino]propanamide (CID 109018747) is N-benzyl-3-[(4-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-benzyl-3-[(4-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-benzyl-3-[(4-methylphenyl)methylamino]propanamide is Cc1ccc(CNCCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-[(4-methylphenyl)methylamino]propanamide?
The InChIKey is IZKBKGNEKPHMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-7-9-17(10-8-15)13-19-12-11-18(21)20-14-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3,(H,20,21).
What are the key properties of N-benzyl-3-[(4-methylphenyl)methylamino]propanamide?
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide has a molecular weight of 282.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109018747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).