N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide

C17H21ClN2O4 — CID 108985779

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
SMILESO=C(NCCc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H21ClN2O4/c18-14-3-1-13(2-4-14)5-8-19-15(21)16(22)20-9-6-17(7-10-20)23-11-12-24-17/h1-4H,5-12H2,(H,19,21)
InChIKeyDVCHGPLNTSDQSS-UHFFFAOYSA-N
MW352.82 g/mol
LogP1.36
Rot. Bonds3

About N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide

N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide (PubChem CID 108985779) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
PubChem CID108985779
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
SMILESO=C(NCCc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H21ClN2O4/c18-14-3-1-13(2-4-14)5-8-19-15(21)16(22)20-9-6-17(7-10-20)23-11-12-24-17/h1-4H,5-12H2,(H,19,21)
InChIKeyDVCHGPLNTSDQSS-UHFFFAOYSA-N
XLogP1.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide (CID 108985779) is N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide is O=C(NCCc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The InChIKey is DVCHGPLNTSDQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c18-14-3-1-13(2-4-14)5-8-19-15(21)16(22)20-9-6-17(7-10-20)23-11-12-24-17/h1-4H,5-12H2,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide has a molecular weight of 352.82 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide is sourced from PubChem (CID 108985779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).