(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide

C24H30N4O2 — CID 71451423

IUPAC(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
SMILESCc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](c1ncc(-c2ccccc2)[nH]1)C(C)C
InChIInChI=1S/C24H30N4O2/c1-14(2)22(23-26-13-21(27-23)17-8-6-5-7-9-17)28-24(30)20(25)12-19-15(3)10-18(29)11-16(19)4/h5-11,13-14,20,22,29H,12,25H2,1-4H3,(H,26,27)(H,28,30)/t20-,22-/m0/s1
InChIKeyPDVXMTJMSOJRFG-UNMCSNQZSA-N
MW406.53 g/mol
LogP3.78
Rot. Bonds7

About (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide

(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide (PubChem CID 71451423) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
PubChem CID71451423
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
SMILESCc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](c1ncc(-c2ccccc2)[nH]1)C(C)C
InChIInChI=1S/C24H30N4O2/c1-14(2)22(23-26-13-21(27-23)17-8-6-5-7-9-17)28-24(30)20(25)12-19-15(3)10-18(29)11-16(19)4/h5-11,13-14,20,22,29H,12,25H2,1-4H3,(H,26,27)(H,28,30)/t20-,22-/m0/s1
InChIKeyPDVXMTJMSOJRFG-UNMCSNQZSA-N
XLogP3.78
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.78
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-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide (CID 71451423) is (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide is Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](c1ncc(-c2ccccc2)[nH]1)C(C)C.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide?
The InChIKey is PDVXMTJMSOJRFG-UNMCSNQZSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-14(2)22(23-26-13-21(27-23)17-8-6-5-7-9-17)28-24(30)20(25)12-19-15(3)10-18(29)11-16(19)4/h5-11,13-14,20,22,29H,12,25H2,1-4H3,(H,26,27)(H,28,30)/t20-,22-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide?
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide has a molecular weight of 406.53 g/mol, XLogP of 3.78, 7 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-hydroxy-2,6-dimethylphenyl)-N-[(1S)-2-methyl-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide is sourced from PubChem (CID 71451423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).