4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

C14H18N4O2 — CID 64546403

IUPAC4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESO=C(CCCOc1ccccc1)NCCc1ncn[nH]1
InChIInChI=1S/C14H18N4O2/c19-14(15-9-8-13-16-11-17-18-13)7-4-10-20-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,15,19)(H,16,17,18)
InChIKeyVLLRPCLOPNIAAT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.32
Rot. Bonds8

About 4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (PubChem CID 64546403) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
PubChem CID64546403
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESO=C(CCCOc1ccccc1)NCCc1ncn[nH]1
InChIInChI=1S/C14H18N4O2/c19-14(15-9-8-13-16-11-17-18-13)7-4-10-20-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,15,19)(H,16,17,18)
InChIKeyVLLRPCLOPNIAAT-UHFFFAOYSA-N
XLogP1.32
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548082
4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 79001382
3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64531621
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
CID 65426736
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 55021450
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
CID 64532139
4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64530541

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The IUPAC name of 4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (CID 64546403) is 4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The canonical SMILES for 4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is O=C(CCCOc1ccccc1)NCCc1ncn[nH]1.
What is the InChIKey of 4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The InChIKey is VLLRPCLOPNIAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-14(15-9-8-13-16-11-17-18-13)7-4-10-20-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,15,19)(H,16,17,18).
What are the key properties of 4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide has a molecular weight of 274.32 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 64546403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).