2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide

C17H32N2O2 — CID 64864449

IUPAC2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide
SMILESCCOC1CC(NC(CC(C)C)C(=O)NC)C12CCCC2
InChIInChI=1S/C17H32N2O2/c1-5-21-15-11-14(17(15)8-6-7-9-17)19-13(10-12(2)3)16(20)18-4/h12-15,19H,5-11H2,1-4H3,(H,18,20)
InChIKeyOTNWJDINZISKJH-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.47
Rot. Bonds7

About 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide

2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide (PubChem CID 64864449) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide
PubChem CID64864449
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide
SMILESCCOC1CC(NC(CC(C)C)C(=O)NC)C12CCCC2
InChIInChI=1S/C17H32N2O2/c1-5-21-15-11-14(17(15)8-6-7-9-17)19-13(10-12(2)3)16(20)18-4/h12-15,19H,5-11H2,1-4H3,(H,18,20)
InChIKeyOTNWJDINZISKJH-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide (CID 64864449) is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide is CCOC1CC(NC(CC(C)C)C(=O)NC)C12CCCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide?
The InChIKey is OTNWJDINZISKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-21-15-11-14(17(15)8-6-7-9-17)19-13(10-12(2)3)16(20)18-4/h12-15,19H,5-11H2,1-4H3,(H,18,20).
What are the key properties of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide?
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide has a molecular weight of 296.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,4-dimethylpentanamide is sourced from PubChem (CID 64864449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).