(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide

C14H22N2O2 — CID 119334130

IUPAC(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)[C@H](C)N
InChIInChI=1S/C14H22N2O2/c1-4-16(14(18)11(3)15)9-13(17)12-7-5-10(2)6-8-12/h5-8,11,13,17H,4,9,15H2,1-3H3/t11-,13?/m0/s1
InChIKeyUVKXTVIDNDWXBI-AMGKYWFPSA-N
MW250.34 g/mol
LogP1.22
Rot. Bonds5

About (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide

(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide (PubChem CID 119334130) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
PubChem CID119334130
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)[C@H](C)N
InChIInChI=1S/C14H22N2O2/c1-4-16(14(18)11(3)15)9-13(17)12-7-5-10(2)6-8-12/h5-8,11,13,17H,4,9,15H2,1-3H3/t11-,13?/m0/s1
InChIKeyUVKXTVIDNDWXBI-AMGKYWFPSA-N
XLogP1.22
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide (CID 119334130) is (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide is CCN(CC(O)c1ccc(C)cc1)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is UVKXTVIDNDWXBI-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(14(18)11(3)15)9-13(17)12-7-5-10(2)6-8-12/h5-8,11,13,17H,4,9,15H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide?
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 119334130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).