N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide

C14H18N4O — CID 121176333

IUPACN-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-2-6-14(19)17-13(11-18-15-9-10-16-18)12-7-4-3-5-8-12/h3-5,7-10,13H,2,6,11H2,1H3,(H,17,19)
InChIKeyZSVFBENJQAXFJM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.94
Rot. Bonds6

About N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide

N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide (PubChem CID 121176333) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
PubChem CID121176333
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-2-6-14(19)17-13(11-18-15-9-10-16-18)12-7-4-3-5-8-12/h3-5,7-10,13H,2,6,11H2,1H3,(H,17,19)
InChIKeyZSVFBENJQAXFJM-UHFFFAOYSA-N
XLogP1.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 121176307
3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
CID 121176264
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
CID 121176314
2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 124761044
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 124761273
N-(3-amino-3-oxo-1-phenylpropyl)butanamide
CID 44600497
N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide
CID 121176556
2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 121176289
4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
CID 124876032

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide?
The IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide (CID 121176333) is N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide.
What is the SMILES notation for N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide?
The canonical SMILES for N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide is CCCC(=O)NC(Cn1nccn1)c1ccccc1.
What is the InChIKey of N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide?
The InChIKey is ZSVFBENJQAXFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-6-14(19)17-13(11-18-15-9-10-16-18)12-7-4-3-5-8-12/h3-5,7-10,13H,2,6,11H2,1H3,(H,17,19).
What are the key properties of N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide?
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide has a molecular weight of 258.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 121176333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).