(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide

C20H22N4O2 — CID 71458586

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
SMILESC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H22N4O2/c1-13(19-22-12-18(24-19)15-5-3-2-4-6-15)23-20(26)17(21)11-14-7-9-16(25)10-8-14/h2-10,12-13,17,25H,11,21H2,1H3,(H,22,24)(H,23,26)/t13-,17-/m0/s1
InChIKeyCHSADFYHBHZDPU-GUYCJALGSA-N
MW350.42 g/mol
LogP2.53
Rot. Bonds6

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide (PubChem CID 71458586) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
PubChem CID71458586
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
SMILESC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H22N4O2/c1-13(19-22-12-18(24-19)15-5-3-2-4-6-15)23-20(26)17(21)11-14-7-9-16(25)10-8-14/h2-10,12-13,17,25H,11,21H2,1H3,(H,22,24)(H,23,26)/t13-,17-/m0/s1
InChIKeyCHSADFYHBHZDPU-GUYCJALGSA-N
XLogP2.53
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide (CID 71458586) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide is C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
The InChIKey is CHSADFYHBHZDPU-GUYCJALGSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(19-22-12-18(24-19)15-5-3-2-4-6-15)23-20(26)17(21)11-14-7-9-16(25)10-8-14/h2-10,12-13,17,25H,11,21H2,1H3,(H,22,24)(H,23,26)/t13-,17-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 71458586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).