N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide

C18H22N2O — CID 109019309

IUPACN-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide
SMILESCc1ccccc1CNCCC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-15-8-6-7-9-16(15)14-19-13-12-18(21)20(2)17-10-4-3-5-11-17/h3-11,19H,12-14H2,1-2H3
InChIKeyZJKFGTJYZFSQKE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.14
Rot. Bonds6

About N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide

N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide (PubChem CID 109019309) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide
PubChem CID109019309
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide
SMILESCc1ccccc1CNCCC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-15-8-6-7-9-16(15)14-19-13-12-18(21)20(2)17-10-4-3-5-11-17/h3-11,19H,12-14H2,1-2H3
InChIKeyZJKFGTJYZFSQKE-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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

3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019300
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019406
3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide
CID 109022468
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide
CID 108961721
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046812
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
3-[(2,3-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54944678
N-(4-hydroxyphenyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 28739159
2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
CID 115923550
3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
CID 28713868

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide?
The IUPAC name of N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide (CID 109019309) is N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide.
What is the SMILES notation for N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide?
The canonical SMILES for N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide is Cc1ccccc1CNCCC(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide?
The InChIKey is ZJKFGTJYZFSQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-8-6-7-9-16(15)14-19-13-12-18(21)20(2)17-10-4-3-5-11-17/h3-11,19H,12-14H2,1-2H3.
What are the key properties of N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide?
N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide is sourced from PubChem (CID 109019309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).