2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide

C10H20N6O2 — CID 119813161

IUPAC2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
SMILESCCCC(NC(=O)CNCCOC)c1nn[nH]n1
InChIInChI=1S/C10H20N6O2/c1-3-4-8(10-13-15-16-14-10)12-9(17)7-11-5-6-18-2/h8,11H,3-7H2,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyHFEFPXRAKPYZFK-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.61
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide

2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide (PubChem CID 119813161) has the molecular formula C10H20N6O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
PubChem CID119813161
Molecular FormulaC10H20N6O2
Molecular Weight256.31 g/mol
Exact Mass256.16
IUPAC Name2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
SMILESCCCC(NC(=O)CNCCOC)c1nn[nH]n1
InChIInChI=1S/C10H20N6O2/c1-3-4-8(10-13-15-16-14-10)12-9(17)7-11-5-6-18-2/h8,11H,3-7H2,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyHFEFPXRAKPYZFK-UHFFFAOYSA-N
XLogP-0.61
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide (CID 119813161) is 2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide is CCCC(NC(=O)CNCCOC)c1nn[nH]n1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide?
The InChIKey is HFEFPXRAKPYZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2/c1-3-4-8(10-13-15-16-14-10)12-9(17)7-11-5-6-18-2/h8,11H,3-7H2,1-2H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide?
2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide has a molecular weight of 256.31 g/mol, XLogP of -0.61, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide is sourced from PubChem (CID 119813161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).