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

C14H19N5O2 — CID 122560512

IUPACN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)NCCc1nc(N)n[nH]1
InChIInChI=1S/C14H19N5O2/c1-10-4-2-3-5-11(10)21-9-7-13(20)16-8-6-12-17-14(15)19-18-12/h2-5H,6-9H2,1H3,(H,16,20)(H3,15,17,18,19)
InChIKeyCWSOFSNGAOWLTJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.82
Rot. Bonds7

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

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide (PubChem CID 122560512) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide
PubChem CID122560512
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)NCCc1nc(N)n[nH]1
InChIInChI=1S/C14H19N5O2/c1-10-4-2-3-5-11(10)21-9-7-13(20)16-8-6-12-17-14(15)19-18-12/h2-5H,6-9H2,1H3,(H,16,20)(H3,15,17,18,19)
InChIKeyCWSOFSNGAOWLTJ-UHFFFAOYSA-N
XLogP0.82
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9245794
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9140053
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
3-(2-aminophenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63239032
N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
CID 60538344
N-ethoxy-3-(2-methylphenoxy)propanamide
CID 60717709
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
N-(2-ethylbutyl)-3-(2-methylphenoxy)propanamide
CID 115612578
3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393959

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide (CID 122560512) is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide is Cc1ccccc1OCCC(=O)NCCc1nc(N)n[nH]1.
What is the InChIKey of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide?
The InChIKey is CWSOFSNGAOWLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-4-2-3-5-11(10)21-9-7-13(20)16-8-6-12-17-14(15)19-18-12/h2-5H,6-9H2,1H3,(H,16,20)(H3,15,17,18,19).
What are the key properties of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide?
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide has a molecular weight of 289.34 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 122560512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).