N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide

C20H22N4O2 — CID 91639924

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide
SMILESO=C(CCc1ccc(-n2cnnc2)cc1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C20H22N4O2/c25-13-18(12-17-4-2-1-3-5-17)23-20(26)11-8-16-6-9-19(10-7-16)24-14-21-22-15-24/h1-7,9-10,14-15,18,25H,8,11-13H2,(H,23,26)/t18-/m0/s1
InChIKeyTUPQGXDXDKIOQA-SFHVURJKSA-N
MW350.42 g/mol
LogP1.92
Rot. Bonds8

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide (PubChem CID 91639924) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide
PubChem CID91639924
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide
SMILESO=C(CCc1ccc(-n2cnnc2)cc1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C20H22N4O2/c25-13-18(12-17-4-2-1-3-5-17)23-20(26)11-8-16-6-9-19(10-7-16)24-14-21-22-15-24/h1-7,9-10,14-15,18,25H,8,11-13H2,(H,23,26)/t18-/m0/s1
InChIKeyTUPQGXDXDKIOQA-SFHVURJKSA-N
XLogP1.92
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide
CID 102673648
3-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861208
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-pyrrolidin-1-ylpropanamide
CID 107861397
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
3-acetamido-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 63260698
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 100906854
N-[(2R)-1-(4-hydroxyphenyl)-3-(1-hydroxypropan-2-yloxy)propan-2-yl]-3-phenylpropanamide;N-[(2S)-1-(4-hydroxyphenyl)-3-(1-hydroxypropan-2-yloxy)propan-2-yl]-3-phenylpropanamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]oxypropan-2-yl]-3-phenylpropanamide;N-[(2S)-1-(4-hydroxyphenyl)-3-[(2R)-1-hydroxypropan-2-yl]oxypropan-2-yl]-3-phenylpropanamide
CID 159049169
3-ethoxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861315

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide (CID 91639924) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide is O=C(CCc1ccc(-n2cnnc2)cc1)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide?
The InChIKey is TUPQGXDXDKIOQA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-13-18(12-17-4-2-1-3-5-17)23-20(26)11-8-16-6-9-19(10-7-16)24-14-21-22-15-24/h1-7,9-10,14-15,18,25H,8,11-13H2,(H,23,26)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(1,2,4-triazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 91639924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).