1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide

C15H28N4O5 — CID 130468342

IUPAC1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCOCCOCCOCCOCCn1cc(C(=O)NC(C)C)nn1
InChIInChI=1S/C15H28N4O5/c1-13(2)16-15(20)14-12-19(18-17-14)4-5-22-8-9-24-11-10-23-7-6-21-3/h12-13H,4-11H2,1-3H3,(H,16,20)
InChIKeyGTVAESFHGIEMLG-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.11
Rot. Bonds14

About 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide

1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 130468342) has the molecular formula C15H28N4O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID130468342
Molecular FormulaC15H28N4O5
Molecular Weight344.41 g/mol
Exact Mass344.21
IUPAC Name1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCOCCOCCOCCOCCn1cc(C(=O)NC(C)C)nn1
InChIInChI=1S/C15H28N4O5/c1-13(2)16-15(20)14-12-19(18-17-14)4-5-22-8-9-24-11-10-23-7-6-21-3/h12-13H,4-11H2,1-3H3,(H,16,20)
InChIKeyGTVAESFHGIEMLG-UHFFFAOYSA-N
XLogP0.11
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate
CID 104601014
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
2,2,2-trifluoro-1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethanone
CID 104566929
1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid
CID 103176665
1-[1-[2-(3-methoxypropoxy)ethyl]triazol-4-yl]ethanone
CID 164663036
1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103243863
2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290810
ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole
CID 156729649
1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide
CID 63574398
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole-4-carboxylic acid
CID 112586978
tetrakis(3,6-bis[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridazine);tetrakis(copper(1+));dihexafluorophosphate
CID 139253054
ethane;1-[1-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]propan-1-one
CID 163269188

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide (CID 130468342) is 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide is COCCOCCOCCOCCn1cc(C(=O)NC(C)C)nn1.
What is the InChIKey of 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is GTVAESFHGIEMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O5/c1-13(2)16-15(20)14-12-19(18-17-14)4-5-22-8-9-24-11-10-23-7-6-21-3/h12-13H,4-11H2,1-3H3,(H,16,20).
What are the key properties of 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide?
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 0.11, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 130468342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).