N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

C14H18N4O2 — CID 51077253

IUPACN-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc(OCCNC(=O)C(C)n2cncn2)cc1
InChIInChI=1S/C14H18N4O2/c1-11-3-5-13(6-4-11)20-8-7-16-14(19)12(2)18-10-15-9-17-18/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,19)
InChIKeyRFKDSJUUCYGDTI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.34
Rot. Bonds6

About N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 51077253) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID51077253
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc(OCCNC(=O)C(C)n2cncn2)cc1
InChIInChI=1S/C14H18N4O2/c1-11-3-5-13(6-4-11)20-8-7-16-14(19)12(2)18-10-15-9-17-18/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,19)
InChIKeyRFKDSJUUCYGDTI-UHFFFAOYSA-N
XLogP1.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminophenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 63237235
(2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950233
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51417174
N-[2-(4-prop-2-ynoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51101426
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950547
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
(2R)-2-(1,2,4-triazol-1-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
CID 94029323
N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 38450679
2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119681162
N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 82993648
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 51077253) is N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is Cc1ccc(OCCNC(=O)C(C)n2cncn2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is RFKDSJUUCYGDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-3-5-13(6-4-11)20-8-7-16-14(19)12(2)18-10-15-9-17-18/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 51077253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).