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

C19H24N2O — CID 109019412

IUPACN-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNCCC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-15-6-8-17(9-7-15)13-20-11-10-19(22)21-14-18-5-3-4-16(2)12-18/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,21,22)
InChIKeyDWVJEJAYDAAYGB-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.10
Rot. Bonds7

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

N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide (PubChem CID 109019412) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
PubChem CID109019412
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNCCC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-15-6-8-17(9-7-15)13-20-11-10-19(22)21-14-18-5-3-4-16(2)12-18/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,21,22)
InChIKeyDWVJEJAYDAAYGB-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.10
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

3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
CID 109012751
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019582
3-[(2-methoxyphenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019419
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide (CID 109019412) is N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide is Cc1ccc(CNCCC(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide?
The InChIKey is DWVJEJAYDAAYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-6-8-17(9-7-15)13-20-11-10-19(22)21-14-18-5-3-4-16(2)12-18/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide?
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide has a molecular weight of 296.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).