(2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride

C19H25ClN2O2 — CID 119298178

IUPAC(2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride
SMILESCCC(C)Oc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-3-14(2)23-17-11-9-16(10-12-17)21-19(22)18(20)13-15-7-5-4-6-8-15;/h4-12,14,18H,3,13,20H2,1-2H3,(H,21,22);1H/t14?,18-;/m0./s1
InChIKeyZAXIQSQUVVPSHM-XYGCWZSBSA-N
MW348.87 g/mol
LogP3.79
Rot. Bonds7

About (2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119298178) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride
PubChem CID119298178
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name(2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride
SMILESCCC(C)Oc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-3-14(2)23-17-11-9-16(10-12-17)21-19(22)18(20)13-15-7-5-4-6-8-15;/h4-12,14,18H,3,13,20H2,1-2H3,(H,21,22);1H/t14?,18-;/m0./s1
InChIKeyZAXIQSQUVVPSHM-XYGCWZSBSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
CID 119298172
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-3-methylbutanamide;hydrochloride
CID 119278732
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119290472
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
ethane;ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoate
CID 145446038
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride (CID 119298178) is (2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride is CCC(C)Oc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is ZAXIQSQUVVPSHM-XYGCWZSBSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-3-14(2)23-17-11-9-16(10-12-17)21-19(22)18(20)13-15-7-5-4-6-8-15;/h4-12,14,18H,3,13,20H2,1-2H3,(H,21,22);1H/t14?,18-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119298178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).