2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide

C13H20N2O — CID 79797135

IUPAC2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C13H20N2O/c1-5-13(4,14)12(16)15-11-8-9(2)6-7-10(11)3/h6-8H,5,14H2,1-4H3,(H,15,16)
InChIKeyGESHSWJRHOAVJW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.37
Rot. Bonds3

About 2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide

2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide (PubChem CID 79797135) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
PubChem CID79797135
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C13H20N2O/c1-5-13(4,14)12(16)15-11-8-9(2)6-7-10(11)3/h6-8H,5,14H2,1-4H3,(H,15,16)
InChIKeyGESHSWJRHOAVJW-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(5-fluoro-2-methylphenyl)-2-methylbutanamide
CID 79796953
2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide
CID 79805209
2-amino-N-(4-bromo-2-methylphenyl)-2-methylbutanamide
CID 79791633
2-amino-N-(4,5-dimethoxy-2-methylphenyl)-2-methylbutanamide
CID 79796473
N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108965970
3-(2,5-dimethylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821167
2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide
CID 131043496
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide
CID 79797795
2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide
CID 114257320
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide
CID 79797233
2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide
CID 79810570

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide (CID 79797135) is 2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide?
The InChIKey is GESHSWJRHOAVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-13(4,14)12(16)15-11-8-9(2)6-7-10(11)3/h6-8H,5,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide?
2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide has a molecular weight of 220.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide is sourced from PubChem (CID 79797135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).