8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

C21H30N2O3 — CID 91940760

IUPAC8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CCOCCO)CC2)CN1CC=Cc1ccccc1
InChIInChI=1S/C21H30N2O3/c24-14-16-26-15-13-22-11-8-21(9-12-22)17-20(25)23(18-21)10-4-7-19-5-2-1-3-6-19/h1-7,24H,8-18H2
InChIKeyPBVHCPZFBKTNGL-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.02
Rot. Bonds8

About 8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 91940760) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID91940760
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CCOCCO)CC2)CN1CC=Cc1ccccc1
InChIInChI=1S/C21H30N2O3/c24-14-16-26-15-13-22-11-8-21(9-12-22)17-20(25)23(18-21)10-4-7-19-5-2-1-3-6-19/h1-7,24H,8-18H2
InChIKeyPBVHCPZFBKTNGL-UHFFFAOYSA-N
XLogP2.02
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate
CID 91940042
N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 72911472
propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 72918682
8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940369
8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72887582
1-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
CID 91939946
8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154898542
8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72908532
8-(1H-imidazol-5-ylmethyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940610
5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one
CID 72838004
methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
CID 91940564
8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940856

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (CID 91940760) is 8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(CCOCCO)CC2)CN1CC=Cc1ccccc1.
What is the InChIKey of 8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PBVHCPZFBKTNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-14-16-26-15-13-22-11-8-21(9-12-22)17-20(25)23(18-21)10-4-7-19-5-2-1-3-6-19/h1-7,24H,8-18H2.
What are the key properties of 8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 358.48 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91940760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).