4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide

C15H24N2O — CID 115156953

IUPAC4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
SMILESCc1ccc(N(C)C(=O)C(C)(C)CCN)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11-6-7-13(12(2)10-11)17(5)14(18)15(3,4)8-9-16/h6-7,10H,8-9,16H2,1-5H3
InChIKeyVGTMUFFPUCUREH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.64
Rot. Bonds4

About 4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide

4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide (PubChem CID 115156953) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
PubChem CID115156953
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
SMILESCc1ccc(N(C)C(=O)C(C)(C)CCN)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11-6-7-13(12(2)10-11)17(5)14(18)15(3,4)8-9-16/h6-7,10H,8-9,16H2,1-5H3
InChIKeyVGTMUFFPUCUREH-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide
CID 115156948
ethyl 3-oxo-3-(N,2,4-trimethylanilino)propanoate
CID 115138496
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate
CID 79349510
4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide
CID 115156946
[amino-(N,2,4-trimethylanilino)methylidene]urea
CID 57266541
methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate
CID 115128341
2-methyl-2-(N,2,4-trimethylanilino)propanoic acid
CID 114988793
3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide
CID 62876983
3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 62002753

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide?
The IUPAC name of 4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide (CID 115156953) is 4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for 4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide?
The canonical SMILES for 4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide is Cc1ccc(N(C)C(=O)C(C)(C)CCN)c(C)c1.
What is the InChIKey of 4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide?
The InChIKey is VGTMUFFPUCUREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-7-13(12(2)10-11)17(5)14(18)15(3,4)8-9-16/h6-7,10H,8-9,16H2,1-5H3.
What are the key properties of 4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide?
4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 115156953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).