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

C14H26N2O2 — CID 64862903

IUPAC2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,N-dimethylacetamide
SMILESCCOC1CC(NCC(=O)N(C)C)C12CCCC2
InChIInChI=1S/C14H26N2O2/c1-4-18-12-9-11(14(12)7-5-6-8-14)15-10-13(17)16(2)3/h11-12,15H,4-10H2,1-3H3
InChIKeyWIVCIMUSMAKRRD-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds5

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

2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,N-dimethylacetamide (PubChem CID 64862903) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,N-dimethylacetamide
PubChem CID64862903
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,N-dimethylacetamide
SMILESCCOC1CC(NCC(=O)N(C)C)C12CCCC2
InChIInChI=1S/C14H26N2O2/c1-4-18-12-9-11(14(12)7-5-6-8-14)15-10-13(17)16(2)3/h11-12,15H,4-10H2,1-3H3
InChIKeyWIVCIMUSMAKRRD-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
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,N-dimethylacetamide?
The IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,N-dimethylacetamide (CID 64862903) is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,N-dimethylacetamide is CCOC1CC(NCC(=O)N(C)C)C12CCCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,N-dimethylacetamide?
The InChIKey is WIVCIMUSMAKRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-18-12-9-11(14(12)7-5-6-8-14)15-10-13(17)16(2)3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,N-dimethylacetamide?
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N,N-dimethylacetamide has a molecular weight of 254.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 64862903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).