N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide

C18H26N2O3 — CID 96525362

IUPACN-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCCO[C@H]1C[C@H](NC(=O)Cn2ccccc2=O)C12CCCCC2
InChIInChI=1S/C18H26N2O3/c1-2-23-15-12-14(18(15)9-5-3-6-10-18)19-16(21)13-20-11-7-4-8-17(20)22/h4,7-8,11,14-15H,2-3,5-6,9-10,12-13H2,1H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyCWEVCZHABLGSPN-GJZGRUSLSA-N
MW318.42 g/mol
LogP2.09
Rot. Bonds5

About N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide

N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 96525362) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID96525362
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCCO[C@H]1C[C@H](NC(=O)Cn2ccccc2=O)C12CCCCC2
InChIInChI=1S/C18H26N2O3/c1-2-23-15-12-14(18(15)9-5-3-6-10-18)19-16(21)13-20-11-7-4-8-17(20)22/h4,7-8,11,14-15H,2-3,5-6,9-10,12-13H2,1H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyCWEVCZHABLGSPN-GJZGRUSLSA-N
XLogP2.09
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide (CID 96525362) is N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide is CCO[C@H]1C[C@H](NC(=O)Cn2ccccc2=O)C12CCCCC2.
What is the InChIKey of N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is CWEVCZHABLGSPN-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-23-15-12-14(18(15)9-5-3-6-10-18)19-16(21)13-20-11-7-4-8-17(20)22/h4,7-8,11,14-15H,2-3,5-6,9-10,12-13H2,1H3,(H,19,21)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 96525362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).