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

C18H36N4O3 — CID 159651574

IUPAC2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)(C)C.CC(C)(C)C(=O)NCCOCCOCCn1ccnn1
InChIInChI=1S/C13H24N4O3.C5H12/c1-13(2,3)12(18)14-5-8-19-10-11-20-9-7-17-6-4-15-16-17;1-5(2,3)4/h4,6H,5,7-11H2,1-3H3,(H,14,18);1-4H3
InChIKeyMRQDMRZCTFECMV-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.53
Rot. Bonds9

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

2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 159651574) has the molecular formula C18H36N4O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide
PubChem CID159651574
Molecular FormulaC18H36N4O3
Molecular Weight356.51 g/mol
Exact Mass356.28
IUPAC Name2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)(C)C.CC(C)(C)C(=O)NCCOCCOCCn1ccnn1
InChIInChI=1S/C13H24N4O3.C5H12/c1-13(2,3)12(18)14-5-8-19-10-11-20-9-7-17-6-4-15-16-17;1-5(2,3)4/h4,6H,5,7-11H2,1-3H3,(H,14,18);1-4H3
InChIKeyMRQDMRZCTFECMV-UHFFFAOYSA-N
XLogP2.53
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.53
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

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-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide
CID 156664526
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-[4-[2-(triazol-1-yl)ethoxy]butylamino]acetamide
CID 169964115
N-methyl-3-[2-[3-(triazol-1-yl)propoxy]ethylamino]propanamide
CID 169964116
N-methyl-3-[3-[2-(triazol-1-yl)ethoxy]propylamino]propanamide
CID 169964117
N-methyl-2-[2-[3-(triazol-1-yl)propoxy]ethylamino]acetamide
CID 169964121
N-methyl-2-[3-[2-(triazol-1-yl)ethoxy]propylamino]acetamide
CID 169964123
2-[2-[2-amino-3-(triazol-1-yl)propoxy]ethoxy]-N-methylacetamide
CID 169964165
3-amino-N-methyl-3-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]propanamide
CID 169964180

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide (CID 159651574) is 2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide is CC(C)(C)C.CC(C)(C)C(=O)NCCOCCOCCn1ccnn1.
What is the InChIKey of 2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is MRQDMRZCTFECMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3.C5H12/c1-13(2,3)12(18)14-5-8-19-10-11-20-9-7-17-6-4-15-16-17;1-5(2,3)4/h4,6H,5,7-11H2,1-3H3,(H,14,18);1-4H3.
What are the key properties of 2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide?
2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 356.51 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 159651574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).