3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

C14H18N4O2 — CID 103716323

IUPAC3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2ncn[nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-10(14-15-9-16-18-14)17-13(19)8-5-11-3-6-12(20-2)7-4-11/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyBIHNISTWWCRHGJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.62
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 103716323) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID103716323
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2ncn[nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-10(14-15-9-16-18-14)17-13(19)8-5-11-3-6-12(20-2)7-4-11/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyBIHNISTWWCRHGJ-UHFFFAOYSA-N
XLogP1.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 113246893
3-(3-aminophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106281036
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
2-[4-(aminomethyl)phenoxy]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 106281095
3-(4-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51187923
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103815068
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
3-(2-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725941
N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide
CID 50971628
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643562

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 103716323) is 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is COc1ccc(CCC(=O)NC(C)c2ncn[nH]2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is BIHNISTWWCRHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(14-15-9-16-18-14)17-13(19)8-5-11-3-6-12(20-2)7-4-11/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,17,19)(H,15,16,18).
What are the key properties of 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 103716323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).