N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide

C15H19N3O2 — CID 102673648

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H19N3O2/c19-11-14(10-13-4-2-1-3-5-13)17-15(20)6-8-18-9-7-16-12-18/h1-5,7,9,12,14,19H,6,8,10-11H2,(H,17,20)/t14-/m0/s1
InChIKeyWQECZYAMOZBXNS-AWEZNQCLSA-N
MW273.34 g/mol
LogP0.99
Rot. Bonds7

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide (PubChem CID 102673648) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide
PubChem CID102673648
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H19N3O2/c19-11-14(10-13-4-2-1-3-5-13)17-15(20)6-8-18-9-7-16-12-18/h1-5,7,9,12,14,19H,6,8,10-11H2,(H,17,20)/t14-/m0/s1
InChIKeyWQECZYAMOZBXNS-AWEZNQCLSA-N
XLogP0.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-3-imidazol-1-ylpropanamide
CID 103919885
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
3-hydroxy-2-(3-imidazol-1-ylpropanoylamino)propanoic acid
CID 24702639
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-pyrrolidin-1-ylpropanamide
CID 107861397
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide
CID 91639924
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 95040075
3-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861208
2-benzyl-6-imidazol-1-ylhexanoic acid
CID 70440938
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide (CID 102673648) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide?
The InChIKey is WQECZYAMOZBXNS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-11-14(10-13-4-2-1-3-5-13)17-15(20)6-8-18-9-7-16-12-18/h1-5,7,9,12,14,19H,6,8,10-11H2,(H,17,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 102673648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).