2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide

C15H24N2O — CID 43702617

IUPAC2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C15H24N2O/c1-10(2)13(16)14(18)17-12-9-7-6-8-11(12)15(3,4)5/h6-10,13H,16H2,1-5H3,(H,17,18)
InChIKeyPBISMFUGFOPDRW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.91
Rot. Bonds3

About 2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide

2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide (PubChem CID 43702617) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
PubChem CID43702617
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C15H24N2O/c1-10(2)13(16)14(18)17-12-9-7-6-8-11(12)15(3,4)5/h6-10,13H,16H2,1-5H3,(H,17,18)
InChIKeyPBISMFUGFOPDRW-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-tert-butylphenyl)-2-phenylacetamide
CID 43702622
(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
CID 119399943
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
(2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 61156317
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119399933
5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide
CID 112517031
N-(2-tert-butylphenyl)-2,3-dichloropropanamide
CID 67892267
2-bromo-N-(2-tert-butylphenyl)butanamide
CID 62855574
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide
CID 54862879

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide (CID 43702617) is 2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide is CC(C)C(N)C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide?
The InChIKey is PBISMFUGFOPDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)13(16)14(18)17-12-9-7-6-8-11(12)15(3,4)5/h6-10,13H,16H2,1-5H3,(H,17,18).
What are the key properties of 2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide?
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.91, 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-tert-butylphenyl)-3-methylbutanamide is sourced from PubChem (CID 43702617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).