N-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide

C15H19ClN2O3 — CID 71868639

IUPACN-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCC(NC(=O)N1CCC2(C1)OCCO2)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-11(12-3-2-4-13(16)9-12)17-14(19)18-6-5-15(10-18)20-7-8-21-15/h2-4,9,11H,5-8,10H2,1H3,(H,17,19)
InChIKeyDQZNKNHPIJPBGK-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.56
Rot. Bonds2

About N-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide

N-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 71868639) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID71868639
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCC(NC(=O)N1CCC2(C1)OCCO2)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-11(12-3-2-4-13(16)9-12)17-14(19)18-6-5-15(10-18)20-7-8-21-15/h2-4,9,11H,5-8,10H2,1H3,(H,17,19)
InChIKeyDQZNKNHPIJPBGK-UHFFFAOYSA-N
XLogP2.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 71868639) is N-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide is CC(NC(=O)N1CCC2(C1)OCCO2)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is DQZNKNHPIJPBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-11(12-3-2-4-13(16)9-12)17-14(19)18-6-5-15(10-18)20-7-8-21-15/h2-4,9,11H,5-8,10H2,1H3,(H,17,19).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 71868639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).