3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C17H21ClN2O3 — CID 42898078

IUPAC3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCCC12NC(=O)N(CCOc1ccc(Cl)cc1)C2=O
InChIInChI=1S/C17H21ClN2O3/c1-12-4-2-3-9-17(12)15(21)20(16(22)19-17)10-11-23-14-7-5-13(18)6-8-14/h5-8,12H,2-4,9-11H2,1H3,(H,19,22)
InChIKeyAONLSIPOGBWFAO-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.22
Rot. Bonds4

About 3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 42898078) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID42898078
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCCC12NC(=O)N(CCOc1ccc(Cl)cc1)C2=O
InChIInChI=1S/C17H21ClN2O3/c1-12-4-2-3-9-17(12)15(21)20(16(22)19-17)10-11-23-14-7-5-13(18)6-8-14/h5-8,12H,2-4,9-11H2,1H3,(H,19,22)
InChIKeyAONLSIPOGBWFAO-UHFFFAOYSA-N
XLogP3.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-(2-propan-2-yloxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24674265
(5R,6S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680971
(5S,6R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680977
2-(4-ethoxyphenoxy)ethyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469563
6-methyl-3-propyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17429707
3-(4-fluorophenoxy)propyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469448
3-(4-fluorophenoxy)propyl 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 42980820
3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46799345
(5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7703177
(5R,6S)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51884022
(5R,6S)-3-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51924278
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 43035395

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 42898078) is 3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCCCC12NC(=O)N(CCOc1ccc(Cl)cc1)C2=O.
What is the InChIKey of 3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is AONLSIPOGBWFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-12-4-2-3-9-17(12)15(21)20(16(22)19-17)10-11-23-14-7-5-13(18)6-8-14/h5-8,12H,2-4,9-11H2,1H3,(H,19,22).
What are the key properties of 3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 336.82 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 42898078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).