2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide

C14H18N4O3 — CID 64547664

IUPAC2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C14H18N4O3/c1-20-11-5-2-3-6-12(11)21-9-14(19)15-8-4-7-13-16-10-17-18-13/h2-3,5-6,10H,4,7-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyMRSKNICICJPEDH-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.94
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide

2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (PubChem CID 64547664) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
PubChem CID64547664
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C14H18N4O3/c1-20-11-5-2-3-6-12(11)21-9-14(19)15-8-4-7-13-16-10-17-18-13/h2-3,5-6,10H,4,7-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyMRSKNICICJPEDH-UHFFFAOYSA-N
XLogP0.94
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547070
1-(2-methoxyphenyl)-3-[3-(1H-1,2,4-triazol-5-yl)propyl]urea
CID 64529656
2-(2-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545846
2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983446
2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64517211
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 79001382
2-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64530073
2-(4-methoxyphenyl)sulfanyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64518766
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110443309
2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide
CID 110443295

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (CID 64547664) is 2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is COc1ccccc1OCC(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The InChIKey is MRSKNICICJPEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-20-11-5-2-3-6-12(11)21-9-14(19)15-8-4-7-13-16-10-17-18-13/h2-3,5-6,10H,4,7-9H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is sourced from PubChem (CID 64547664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).