N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide

C13H16N4O2 — CID 43501203

IUPACN-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NCC(O)c1ccccc1
InChIInChI=1S/C13H16N4O2/c18-12(11-4-2-1-3-5-11)10-14-13(19)6-8-17-9-7-15-16-17/h1-5,7,9,12,18H,6,8,10H2,(H,14,19)
InChIKeyXAGHCJYHEAZSBO-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.52
Rot. Bonds6

About N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide

N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide (PubChem CID 43501203) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide
PubChem CID43501203
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NCC(O)c1ccccc1
InChIInChI=1S/C13H16N4O2/c18-12(11-4-2-1-3-5-11)10-14-13(19)6-8-17-9-7-15-16-17/h1-5,7,9,12,18H,6,8,10H2,(H,14,19)
InChIKeyXAGHCJYHEAZSBO-UHFFFAOYSA-N
XLogP0.52
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
N-[2-methyl-3-(methylamino)propyl]-3-(triazol-1-yl)propanamide
CID 81479457
N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide
CID 97227838
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
CID 92707865
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide
CID 113258739
3-(benzenesulfonyl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 91829405
N-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 97227808
2,2-dimethyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 115427037
2-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 43211063
2-hydroxy-2-methyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 66173368
2-methyl-5-[3-(triazol-1-yl)propanoylamino]pentanoic acid
CID 104682582

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide (CID 43501203) is N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)NCC(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide?
The InChIKey is XAGHCJYHEAZSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-12(11-4-2-1-3-5-11)10-14-13(19)6-8-17-9-7-15-16-17/h1-5,7,9,12,18H,6,8,10H2,(H,14,19).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide?
N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 43501203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).