3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one

C22H28N2O2 — CID 155306403

IUPAC3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one
SMILESO=C1OC(CCNCCNc2cccc3ccccc23)CC12CCCC2
InChIInChI=1S/C22H28N2O2/c25-21-22(11-3-4-12-22)16-18(26-21)10-13-23-14-15-24-20-9-5-7-17-6-1-2-8-19(17)20/h1-2,5-9,18,23-24H,3-4,10-16H2
InChIKeyFPUBGIHEDGLPLF-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.11
Rot. Bonds7

About 3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one

3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one (PubChem CID 155306403) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one
PubChem CID155306403
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one
SMILESO=C1OC(CCNCCNc2cccc3ccccc23)CC12CCCC2
InChIInChI=1S/C22H28N2O2/c25-21-22(11-3-4-12-22)16-18(26-21)10-13-23-14-15-24-20-9-5-7-17-6-1-2-8-19(17)20/h1-2,5-9,18,23-24H,3-4,10-16H2
InChIKeyFPUBGIHEDGLPLF-UHFFFAOYSA-N
XLogP4.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 140837613
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
(3S)-3-[2-(4-anthracen-1-ylpiperazin-1-yl)ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 140837521
2-(naphthalen-1-ylamino)ethanesulfonamide
CID 114384703
N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide
CID 118724860
N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
CID 67942505
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-amine
CID 95561109
N-naphthalen-1-yl-N'-propan-2-ylethane-1,2-diamine
CID 115206310
N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine
CID 79901355
(3R)-3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.4]nonan-1-one
CID 140837543
1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
N-spiro[3.5]nonan-3-ylnaphthalen-1-amine
CID 102951157

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one?
The IUPAC name of 3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one (CID 155306403) is 3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one.
What is the SMILES notation for 3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one?
The canonical SMILES for 3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one is O=C1OC(CCNCCNc2cccc3ccccc23)CC12CCCC2.
What is the InChIKey of 3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one?
The InChIKey is FPUBGIHEDGLPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-21-22(11-3-4-12-22)16-18(26-21)10-13-23-14-15-24-20-9-5-7-17-6-1-2-8-19(17)20/h1-2,5-9,18,23-24H,3-4,10-16H2.
What are the key properties of 3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one?
3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one has a molecular weight of 352.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(naphthalen-1-ylamino)ethylamino]ethyl]-2-oxaspiro[4.4]nonan-1-one is sourced from PubChem (CID 155306403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).