2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide

C13H24N4O3 — CID 156664526

IUPAC2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCOCCOCCn1ccnn1
InChIInChI=1S/C13H24N4O3/c1-13(2,3)12(18)14-5-8-19-10-11-20-9-7-17-6-4-15-16-17/h4,6H,5,7-11H2,1-3H3,(H,14,18)
InChIKeyKWXRZYNEBNTFBO-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.47
Rot. Bonds9

About 2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide

2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 156664526) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide
PubChem CID156664526
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCOCCOCCn1ccnn1
InChIInChI=1S/C13H24N4O3/c1-13(2,3)12(18)14-5-8-19-10-11-20-9-7-17-6-4-15-16-17/h4,6H,5,7-11H2,1-3H3,(H,14,18)
InChIKeyKWXRZYNEBNTFBO-UHFFFAOYSA-N
XLogP0.47
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(1H-1,2,3-triazol-1-yl)propyl]acetamide
CID 118795017
2-methyl-N-[3-(triazol-1-yl)propyl]propanamide
CID 68197496
N-(2,2-dimethylpropyl)-2-(triazol-1-yl)acetamide
CID 121445192
2-[2-[2-[2-(Triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 152587081
N-methyl-2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 153625811
2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine
CID 156664288
2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide
CID 159651574
N-methyl-2-[4-[2-(triazol-1-yl)ethylamino]butoxy]acetamide
CID 169964112
N-methyl-2-[3-[3-(triazol-1-yl)propylamino]propoxy]acetamide
CID 169964113
N-methyl-2-[3-[3-(triazol-1-yl)propoxy]propylamino]acetamide
CID 169964114
N-methyl-2-[4-[2-(triazol-1-yl)ethoxy]butylamino]acetamide
CID 169964115
N-methyl-3-[2-[3-(triazol-1-yl)propoxy]ethylamino]propanamide
CID 169964116

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide (CID 156664526) is 2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide is CC(C)(C)C(=O)NCCOCCOCCn1ccnn1.
What is the InChIKey of 2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is KWXRZYNEBNTFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-13(2,3)12(18)14-5-8-19-10-11-20-9-7-17-6-4-15-16-17/h4,6H,5,7-11H2,1-3H3,(H,14,18).
What are the key properties of 2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide?
2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 284.36 g/mol, XLogP of 0.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 156664526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).