2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide

C15H24N2O — CID 76892574

IUPAC2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)C(N)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-9-7-10(2)12(11(3)8-9)17-14(18)13(16)15(4,5)6/h7-8,13H,16H2,1-6H3,(H,17,18)
InChIKeyGHLPAYPMPKYDFG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds2

About 2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide

2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 76892574) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID76892574
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)C(N)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-9-7-10(2)12(11(3)8-9)17-14(18)13(16)15(4,5)6/h7-8,13H,16H2,1-6H3,(H,17,18)
InChIKeyGHLPAYPMPKYDFG-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide;hydrochloride
CID 119685639
2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 76892746
(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79011703
2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717
(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 107641656
(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119669266
(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide
CID 61148025
2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide
CID 107599700
(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
CID 103830837
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 76887238
(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide (CID 76892574) is 2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide is Cc1cc(C)c(NC(=O)C(N)C(C)(C)C)c(C)c1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is GHLPAYPMPKYDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-9-7-10(2)12(11(3)8-9)17-14(18)13(16)15(4,5)6/h7-8,13H,16H2,1-6H3,(H,17,18).
What are the key properties of 2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide?
2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 76892574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).