8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H25ClN2O2 — CID 3077277

IUPAC8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CCC)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2
InChIInChI=1S/C19H25ClN2O2/c1-3-11-22-15(2)19(24-18(22)23)9-13-21(14-10-19)12-8-16-4-6-17(20)7-5-16/h4-7H,2-3,8-14H2,1H3
InChIKeyTXEQTWHQBFSHBT-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.09
Rot. Bonds5

About 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077277) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077277
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CCC)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2
InChIInChI=1S/C19H25ClN2O2/c1-3-11-22-15(2)19(24-18(22)23)9-13-21(14-10-19)12-8-16-4-6-17(20)7-5-16/h4-7H,2-3,8-14H2,1H3
InChIKeyTXEQTWHQBFSHBT-UHFFFAOYSA-N
XLogP4.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-3-cyclohexyl-4-methylene-
CID 3077243
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-methyl-4-methylene-8-(3-phenylpropyl)-
CID 3077244
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-3-cyclohexyl-4-hydroxy-4-methyl-
CID 3077246
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-methyl-4-methylene-8-(2-phenylethyl)-
CID 3077247
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-4-methylene-3-phenyl-
CID 3077248
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-ethyl-4-methylene-8-(2-(4-methylphenyl)ethyl)-, monohydrochloride
CID 3077249
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-ethyl-4-methylene-8-(2-phenylethyl)-
CID 3077253
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-(1,1-dimethylethyl)-4-methylene-8-(2-phenylethyl)-
CID 3077256
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-4-methylene-3-(1-methylethyl)-
CID 3077257
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-3-methyl-4-methylene-
CID 3077258
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-methylene-3-(1-methylethyl)-
CID 3077260
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-methylene-3-propyl-
CID 3077262

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077277) is 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(CCC)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2.
What is the InChIKey of 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is TXEQTWHQBFSHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-3-11-22-15(2)19(24-18(22)23)9-13-21(14-10-19)12-8-16-4-6-17(20)7-5-16/h4-7H,2-3,8-14H2,1H3.
What are the key properties of 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 348.87 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).