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

C24H30N4O2 — CID 71451424

IUPAC(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide
SMILESCc1cc(O)cc(C)c1C[C@H](N)C(=O)N(Cc1ncc(-c2ccccc2)[nH]1)C(C)C
InChIInChI=1S/C24H30N4O2/c1-15(2)28(14-23-26-13-22(27-23)18-8-6-5-7-9-18)24(30)21(25)12-20-16(3)10-19(29)11-17(20)4/h5-11,13,15,21,29H,12,14,25H2,1-4H3,(H,26,27)/t21-/m0/s1
InChIKeyKGIDIAZLXYECSQ-NRFANRHFSA-N
MW406.53 g/mol
LogP3.71
Rot. Bonds7

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

(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide (PubChem CID 71451424) 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-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide
PubChem CID71451424
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide
SMILESCc1cc(O)cc(C)c1C[C@H](N)C(=O)N(Cc1ncc(-c2ccccc2)[nH]1)C(C)C
InChIInChI=1S/C24H30N4O2/c1-15(2)28(14-23-26-13-22(27-23)18-8-6-5-7-9-18)24(30)21(25)12-20-16(3)10-19(29)11-17(20)4/h5-11,13,15,21,29H,12,14,25H2,1-4H3,(H,26,27)/t21-/m0/s1
InChIKeyKGIDIAZLXYECSQ-NRFANRHFSA-N
XLogP3.71
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.71
H-Bond Donors ≤ 53
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-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide (CID 71451424) is (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide is Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(Cc1ncc(-c2ccccc2)[nH]1)C(C)C.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide?
The InChIKey is KGIDIAZLXYECSQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-15(2)28(14-23-26-13-22(27-23)18-8-6-5-7-9-18)24(30)21(25)12-20-16(3)10-19(29)11-17(20)4/h5-11,13,15,21,29H,12,14,25H2,1-4H3,(H,26,27)/t21-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide?
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide has a molecular weight of 406.53 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 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-[(5-phenyl-1H-imidazol-2-yl)methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 71451424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).