8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H23ClN2O4 — CID 70744500

IUPAC8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)C(C)Oc3cccc(Cl)c3)CC2)OC1=O
InChIInChI=1S/C18H23ClN2O4/c1-3-20-12-18(25-17(20)23)7-9-21(10-8-18)16(22)13(2)24-15-6-4-5-14(19)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyMFKDDJQQYPIVKK-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.94
Rot. Bonds4

About 8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70744500) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is 8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70744500
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)C(C)Oc3cccc(Cl)c3)CC2)OC1=O
InChIInChI=1S/C18H23ClN2O4/c1-3-20-12-18(25-17(20)23)7-9-21(10-8-18)16(22)13(2)24-15-6-4-5-14(19)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyMFKDDJQQYPIVKK-UHFFFAOYSA-N
XLogP2.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70744500) is 8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(C(=O)C(C)Oc3cccc(Cl)c3)CC2)OC1=O.
What is the InChIKey of 8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MFKDDJQQYPIVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4/c1-3-20-12-18(25-17(20)23)7-9-21(10-8-18)16(22)13(2)24-15-6-4-5-14(19)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3.
What are the key properties of 8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 366.85 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-chlorophenoxy)propanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70744500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).