(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride

C16H27ClN2O — CID 119399943

IUPAC(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccccc1C(C)(C)C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-11(2)10-13(17)15(19)18-14-9-7-6-8-12(14)16(3,4)5;/h6-9,11,13H,10,17H2,1-5H3,(H,18,19);1H/t13-;/m0./s1
InChIKeyIMAHJSYNORYZRR-ZOWNYOTGSA-N
MW298.86 g/mol
LogP3.72
Rot. Bonds4

About (2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride (PubChem CID 119399943) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
PubChem CID119399943
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccccc1C(C)(C)C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-11(2)10-13(17)15(19)18-14-9-7-6-8-12(14)16(3,4)5;/h6-9,11,13H,10,17H2,1-5H3,(H,18,19);1H/t13-;/m0./s1
InChIKeyIMAHJSYNORYZRR-ZOWNYOTGSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119399933
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide
CID 24862332
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
2-amino-N-(2-tert-butylphenyl)-2-phenylacetamide
CID 43702622
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583
(2S)-N-(3-acetamido-2-methylphenyl)-2-amino-4-methylpentanamide
CID 119704819

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride (CID 119399943) is (2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)Nc1ccccc1C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride?
The InChIKey is IMAHJSYNORYZRR-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-11(2)10-13(17)15(19)18-14-9-7-6-8-12(14)16(3,4)5;/h6-9,11,13H,10,17H2,1-5H3,(H,18,19);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119399943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).