N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide

C17H24N4O2 — CID 97197721

IUPACN-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCC[C@@H](O)Cn1nc(CCc2ccccc2)nc1CNC(C)=O
InChIInChI=1S/C17H24N4O2/c1-3-15(23)12-21-17(11-18-13(2)22)19-16(20-21)10-9-14-7-5-4-6-8-14/h4-8,15,23H,3,9-12H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyGDWXOQBJLXLKPS-OAHLLOKOSA-N
MW316.40 g/mol
LogP1.47
Rot. Bonds8

About N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide

N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide (PubChem CID 97197721) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide
PubChem CID97197721
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCC[C@@H](O)Cn1nc(CCc2ccccc2)nc1CNC(C)=O
InChIInChI=1S/C17H24N4O2/c1-3-15(23)12-21-17(11-18-13(2)22)19-16(20-21)10-9-14-7-5-4-6-8-14/h4-8,15,23H,3,9-12H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyGDWXOQBJLXLKPS-OAHLLOKOSA-N
XLogP1.47
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide with MolForge

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Related Compounds

1-[3-(2-methylpropyl)-5-(2-pyridin-3-ylethyl)-1,2,4-triazol-1-yl]butan-2-ol
CID 131924260
(2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol
CID 97116467
N-benzylacetamide;ethanamine
CID 22257034
(3R)-N-benzyl-3-hydroxypentanamide
CID 130658384
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-[2-[[4-(2-phenylethyl)phenyl]methylamino]ethyl]acetamide
CID 11437928
N-benzylacetamide;toluene
CID 175498463
methyl 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567227
N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 95342576
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
3-[[2-butyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-2,3-dihydrothiophene 1,1-dioxide
CID 72889212

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide (CID 97197721) is N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide is CC[C@@H](O)Cn1nc(CCc2ccccc2)nc1CNC(C)=O.
What is the InChIKey of N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The InChIKey is GDWXOQBJLXLKPS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-15(23)12-21-17(11-18-13(2)22)19-16(20-21)10-9-14-7-5-4-6-8-14/h4-8,15,23H,3,9-12H2,1-2H3,(H,18,22)/t15-/m1/s1.
What are the key properties of N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide has a molecular weight of 316.40 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-2-hydroxybutyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide is sourced from PubChem (CID 97197721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).