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

C15H20N4O — CID 121176209

IUPACN-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
SMILESCCCCC(=O)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-2-3-9-15(20)18-14(12-19-16-10-11-17-19)13-7-5-4-6-8-13/h4-8,10-11,14H,2-3,9,12H2,1H3,(H,18,20)
InChIKeyNGGPGODMMMSQAF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.33
Rot. Bonds7

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

N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide (PubChem CID 121176209) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
PubChem CID121176209
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
SMILESCCCCC(=O)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-2-3-9-15(20)18-14(12-19-16-10-11-17-19)13-7-5-4-6-8-13/h4-8,10-11,14H,2-3,9,12H2,1H3,(H,18,20)
InChIKeyNGGPGODMMMSQAF-UHFFFAOYSA-N
XLogP2.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
CID 121176264
N-(1,2-diphenylethyl)pentanamide
CID 134014505
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-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 121176307
methyl (3S)-3-(pentanoylamino)-3-phenylpropanoate
CID 94017394
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide
CID 95149857
N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 124761273
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide
CID 17454227
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide?
The IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide (CID 121176209) is N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide.
What is the SMILES notation for N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide?
The canonical SMILES for N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide is CCCCC(=O)NC(Cn1nccn1)c1ccccc1.
What is the InChIKey of N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide?
The InChIKey is NGGPGODMMMSQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-3-9-15(20)18-14(12-19-16-10-11-17-19)13-7-5-4-6-8-13/h4-8,10-11,14H,2-3,9,12H2,1H3,(H,18,20).
What are the key properties of N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide?
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide has a molecular weight of 272.35 g/mol, XLogP of 2.33, 7 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]pentanamide is sourced from PubChem (CID 121176209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).