7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide

C18H34N2O2 — CID 119805159

IUPAC7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide
SMILESCCOC1CC(NC(=O)CCCCCCN)C12CCCCC2
InChIInChI=1S/C18H34N2O2/c1-2-22-16-14-15(18(16)11-7-5-8-12-18)20-17(21)10-6-3-4-9-13-19/h15-16H,2-14,19H2,1H3,(H,20,21)
InChIKeyFBJHJFIBIVZCLW-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.14
Rot. Bonds9

About 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide

7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide (PubChem CID 119805159) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide
PubChem CID119805159
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide
SMILESCCOC1CC(NC(=O)CCCCCCN)C12CCCCC2
InChIInChI=1S/C18H34N2O2/c1-2-22-16-14-15(18(16)11-7-5-8-12-18)20-17(21)10-6-3-4-9-13-19/h15-16H,2-14,19H2,1H3,(H,20,21)
InChIKeyFBJHJFIBIVZCLW-UHFFFAOYSA-N
XLogP3.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.14
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 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide?
The IUPAC name of 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide (CID 119805159) is 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide?
The canonical SMILES for 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide is CCOC1CC(NC(=O)CCCCCCN)C12CCCCC2.
What is the InChIKey of 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide?
The InChIKey is FBJHJFIBIVZCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-2-22-16-14-15(18(16)11-7-5-8-12-18)20-17(21)10-6-3-4-9-13-19/h15-16H,2-14,19H2,1H3,(H,20,21).
What are the key properties of 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide?
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide has a molecular weight of 310.48 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide is sourced from PubChem (CID 119805159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).