3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide

C15H24N2O — CID 113278332

IUPAC3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O/c1-11-6-7-13(12(2)8-11)9-17-10-15(3,4)14(18)16-5/h6-8,17H,9-10H2,1-5H3,(H,16,18)
InChIKeyPCEVCHXVPKSAAG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.17
Rot. Bonds5

About 3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide

3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide (PubChem CID 113278332) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide
PubChem CID113278332
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O/c1-11-6-7-13(12(2)8-11)9-17-10-15(3,4)14(18)16-5/h6-8,17H,9-10H2,1-5H3,(H,16,18)
InChIKeyPCEVCHXVPKSAAG-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide
CID 103824330
3-[(2,3-dihydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 113357962
3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824288
1-[(2,4-dimethylphenyl)methylamino]propan-2-one
CID 115234682
4-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 114167528
3-[(2-bromo-4-nitrophenyl)methylamino]-N,2,2-trimethylpropanamide
CID 106276928
3-[(2,4-dimethylphenyl)methylamino]propanoic acid
CID 43139974
2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide
CID 106274732
3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103923775
3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide
CID 106276943
3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824416
4-[(2,5-dimethylphenyl)methylamino]-3,3-dimethylbutanoic acid
CID 115220317

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide (CID 113278332) is 3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCc1ccc(C)cc1C.
What is the InChIKey of 3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide?
The InChIKey is PCEVCHXVPKSAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-7-13(12(2)8-11)9-17-10-15(3,4)14(18)16-5/h6-8,17H,9-10H2,1-5H3,(H,16,18).
What are the key properties of 3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide?
3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 113278332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).