3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide

C14H29N5O3 — CID 126625243

IUPAC3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide
SMILESCC(C)(COC(C)(C)CC(=O)NCCCN=[N+]=[N-])OCCN
InChIInChI=1S/C14H29N5O3/c1-13(2,22-11-14(3,4)21-9-6-15)10-12(20)17-7-5-8-18-19-16/h5-11,15H2,1-4H3,(H,17,20)
InChIKeyPNROWORUUHMRAC-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.74
Rot. Bonds12

About 3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide

3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide (PubChem CID 126625243) has the molecular formula C14H29N5O3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide
PubChem CID126625243
Molecular FormulaC14H29N5O3
Molecular Weight315.42 g/mol
Exact Mass315.23
IUPAC Name3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide
SMILESCC(C)(COC(C)(C)CC(=O)NCCCN=[N+]=[N-])OCCN
InChIInChI=1S/C14H29N5O3/c1-13(2,22-11-14(3,4)21-9-6-15)10-12(20)17-7-5-8-18-19-16/h5-11,15H2,1-4H3,(H,17,20)
InChIKeyPNROWORUUHMRAC-UHFFFAOYSA-N
XLogP1.74
TPSA122.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide?
The IUPAC name of 3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide (CID 126625243) is 3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide.
What is the SMILES notation for 3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide?
The canonical SMILES for 3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide is CC(C)(COC(C)(C)CC(=O)NCCCN=[N+]=[N-])OCCN.
What is the InChIKey of 3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide?
The InChIKey is PNROWORUUHMRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O3/c1-13(2,22-11-14(3,4)21-9-6-15)10-12(20)17-7-5-8-18-19-16/h5-11,15H2,1-4H3,(H,17,20).
What are the key properties of 3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide?
3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide has a molecular weight of 315.42 g/mol, XLogP of 1.74, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide is sourced from PubChem (CID 126625243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).