N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide

C15H24N2O — CID 28650775

IUPACN-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
SMILESCc1ccc(CNCCNC(=O)C(C)C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11(2)15(18)17-8-7-16-10-14-6-5-12(3)9-13(14)4/h5-6,9,11,16H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyAMGUAZHBHCDMDY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.17
Rot. Bonds6

About N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide

N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide (PubChem CID 28650775) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
PubChem CID28650775
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
SMILESCc1ccc(CNCCNC(=O)C(C)C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11(2)15(18)17-8-7-16-10-14-6-5-12(3)9-13(14)4/h5-6,9,11,16H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyAMGUAZHBHCDMDY-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.17
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-[(2,4-dimethylphenyl)methylamino]propanoic acid
CID 43139974
2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82110635
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
3-[(2,4-dimethylphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 115164254
5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 107267917
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
1-[(2,4-dimethylphenyl)methylamino]propan-2-one
CID 115234682
2-[(2,5-dimethylphenyl)methylamino]ethylurea
CID 83111203
methyl 4-[(2,4-dimethylphenyl)methylamino]butanoate
CID 54920507
2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 75871769
N-[2-[(2-bromo-4-fluorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 103608711
N-[2-[(2-aminophenyl)methylamino]ethyl]-2-methylpropanamide
CID 66387835

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide (CID 28650775) is N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide is Cc1ccc(CNCCNC(=O)C(C)C)c(C)c1.
What is the InChIKey of N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide?
The InChIKey is AMGUAZHBHCDMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)15(18)17-8-7-16-10-14-6-5-12(3)9-13(14)4/h5-6,9,11,16H,7-8,10H2,1-4H3,(H,17,18).
What are the key properties of N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide?
N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 28650775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).