(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide

C19H24N2O — CID 22691217

IUPAC(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
SMILESCC(C)(C)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-19(2,3)15-9-11-16(12-10-15)21-18(22)17(20)13-14-7-5-4-6-8-14/h4-12,17H,13,20H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyJXIOSZDJWVCFMG-KRWDZBQOSA-N
MW296.41 g/mol
LogP3.49
Rot. Bonds4

About (2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide

(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide (PubChem CID 22691217) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
PubChem CID22691217
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
SMILESCC(C)(C)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-19(2,3)15-9-11-16(12-10-15)21-18(22)17(20)13-14-7-5-4-6-8-14/h4-12,17H,13,20H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyJXIOSZDJWVCFMG-KRWDZBQOSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide
CID 116850478
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
tert-butyl 4-[(2-amino-3-phenylpropanoyl)amino]benzenecarboperoxoate
CID 174598628
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-3-methylbutanamide;hydrochloride
CID 119278732
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(4-tert-butylphenyl)propanamide;dihydrochloride
CID 119671563
(2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide
CID 119328654
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide (CID 22691217) is (2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide is CC(C)(C)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide?
The InChIKey is JXIOSZDJWVCFMG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O/c1-19(2,3)15-9-11-16(12-10-15)21-18(22)17(20)13-14-7-5-4-6-8-14/h4-12,17H,13,20H2,1-3H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide?
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide has a molecular weight of 296.41 g/mol, XLogP of 3.49, 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-(4-tert-butylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 22691217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).