3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide

C14H18N4O2 — CID 90651126

IUPAC3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
SMILESCC(Cn1cncn1)NC(=O)CCOc1ccccc1
InChIInChI=1S/C14H18N4O2/c1-12(9-18-11-15-10-16-18)17-14(19)7-8-20-13-5-3-2-4-6-13/h2-6,10-12H,7-9H2,1H3,(H,17,19)
InChIKeyGMQVDBNTGBDZJL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.25
Rot. Bonds7

About 3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide

3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide (PubChem CID 90651126) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
PubChem CID90651126
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
SMILESCC(Cn1cncn1)NC(=O)CCOc1ccccc1
InChIInChI=1S/C14H18N4O2/c1-12(9-18-11-15-10-16-18)17-14(19)7-8-20-13-5-3-2-4-6-13/h2-6,10-12H,7-9H2,1H3,(H,17,19)
InChIKeyGMQVDBNTGBDZJL-UHFFFAOYSA-N
XLogP1.25
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
N-(1-bromopropan-2-yl)-3-phenoxypropanamide
CID 114310403
2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide
CID 60518268
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 60518405
2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 71995156
1-ethyl-1-[2-(3-methylphenoxy)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 126440605
2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 135104972
N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 94840300
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 71984950
5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide
CID 45246576

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
The IUPAC name of 3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide (CID 90651126) is 3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide is CC(Cn1cncn1)NC(=O)CCOc1ccccc1.
What is the InChIKey of 3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
The InChIKey is GMQVDBNTGBDZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-12(9-18-11-15-10-16-18)17-14(19)7-8-20-13-5-3-2-4-6-13/h2-6,10-12H,7-9H2,1H3,(H,17,19).
What are the key properties of 3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 90651126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).