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

C18H18N4O2 — CID 134040349

IUPAC2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(-n3cncn3)cc2)cc1
InChIInChI=1S/C18H18N4O2/c1-13-3-9-17(10-4-13)24-14(2)18(23)21-15-5-7-16(8-6-15)22-12-19-11-20-22/h3-12,14H,1-2H3,(H,21,23)
InChIKeyHJMRYZRPWWDTID-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.98
Rot. Bonds5

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

2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (PubChem CID 134040349) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
PubChem CID134040349
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(-n3cncn3)cc2)cc1
InChIInChI=1S/C18H18N4O2/c1-13-3-9-17(10-4-13)24-14(2)18(23)21-15-5-7-16(8-6-15)22-12-19-11-20-22/h3-12,14H,1-2H3,(H,21,23)
InChIKeyHJMRYZRPWWDTID-UHFFFAOYSA-N
XLogP2.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 55608786
2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 47303590
2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166686
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
(2S)-2-(4-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 30857195
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide
CID 55561341
N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
CID 4928472
(2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 31438428
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (CID 134040349) is 2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc(-n3cncn3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The InChIKey is HJMRYZRPWWDTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-3-9-17(10-4-13)24-14(2)18(23)21-15-5-7-16(8-6-15)22-12-19-11-20-22/h3-12,14H,1-2H3,(H,21,23).
What are the key properties of 2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 134040349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).