N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide

C14H26N2O2 — CID 64864417

IUPACN-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide
SMILESCCOC1CC(NCCNC(C)=O)C12CCCC2
InChIInChI=1S/C14H26N2O2/c1-3-18-13-10-12(14(13)6-4-5-7-14)16-9-8-15-11(2)17/h12-13,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyDGWQEERFAVPZTO-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.45
Rot. Bonds6

About N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide

N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide (PubChem CID 64864417) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide
PubChem CID64864417
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide
SMILESCCOC1CC(NCCNC(C)=O)C12CCCC2
InChIInChI=1S/C14H26N2O2/c1-3-18-13-10-12(14(13)6-4-5-7-14)16-9-8-15-11(2)17/h12-13,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyDGWQEERFAVPZTO-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide (CID 64864417) is N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide is CCOC1CC(NCCNC(C)=O)C12CCCC2.
What is the InChIKey of N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide?
The InChIKey is DGWQEERFAVPZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-18-13-10-12(14(13)6-4-5-7-14)16-9-8-15-11(2)17/h12-13,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide?
N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]acetamide is sourced from PubChem (CID 64864417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).