3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C19H25ClN2O3 — CID 4855070

IUPAC3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CCOc1ccccc1Cl)C2=O
InChIInChI=1S/C19H25ClN2O3/c1-13-10-18(2,3)12-19(11-13)16(23)22(17(24)21-19)8-9-25-15-7-5-4-6-14(15)20/h4-7,13H,8-12H2,1-3H3,(H,21,24)
InChIKeyRXCZVBUCMBUYPA-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.86
Rot. Bonds4

About 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 4855070) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID4855070
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CCOc1ccccc1Cl)C2=O
InChIInChI=1S/C19H25ClN2O3/c1-13-10-18(2,3)12-19(11-13)16(23)22(17(24)21-19)8-9-25-15-7-5-4-6-14(15)20/h4-7,13H,8-12H2,1-3H3,(H,21,24)
InChIKeyRXCZVBUCMBUYPA-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.86
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

(5S,9R)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8002516
3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42965848
2-(4-chlorophenoxy)ethyl 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651672
(2-chloro-6-fluorophenyl)methyl 2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7652037
N-benzhydryl-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579653
2-(4-fluorophenoxy)ethyl 2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651688
(4R)-3'-[2-(2-chlorophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666015
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7691911
N-[2-(2-methoxyphenyl)ethyl]-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 31114934
N-(3-chloro-4-methoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7934827
5-(2-chlorophenyl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4003616
(3-chlorophenyl)methyl 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7652027

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 4855070) is 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CC(C)(C)CC2(C1)NC(=O)N(CCOc1ccccc1Cl)C2=O.
What is the InChIKey of 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is RXCZVBUCMBUYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-13-10-18(2,3)12-19(11-13)16(23)22(17(24)21-19)8-9-25-15-7-5-4-6-14(15)20/h4-7,13H,8-12H2,1-3H3,(H,21,24).
What are the key properties of 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 364.87 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 4855070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).