2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

C17H23ClN2O3 — CID 87013553

IUPAC2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESCC(NCC(=O)N1CCC2(CC1)OCCO2)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O3/c1-13(14-2-4-15(18)5-3-14)19-12-16(21)20-8-6-17(7-9-20)22-10-11-23-17/h2-5,13,19H,6-12H2,1H3
InChIKeyBEXKKBICKBZEHH-UHFFFAOYSA-N
MW338.83 g/mol
LogP2.36
Rot. Bonds4

About 2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 87013553) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID87013553
Molecular FormulaC17H23ClN2O3
Molecular Weight338.83 g/mol
Exact Mass338.14
IUPAC Name2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESCC(NCC(=O)N1CCC2(CC1)OCCO2)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O3/c1-13(14-2-4-15(18)5-3-14)19-12-16(21)20-8-6-17(7-9-20)22-10-11-23-17/h2-5,13,19H,6-12H2,1H3
InChIKeyBEXKKBICKBZEHH-UHFFFAOYSA-N
XLogP2.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (CID 87013553) is 2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is CC(NCC(=O)N1CCC2(CC1)OCCO2)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is BEXKKBICKBZEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-13(14-2-4-15(18)5-3-14)19-12-16(21)20-8-6-17(7-9-20)22-10-11-23-17/h2-5,13,19H,6-12H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 338.83 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 87013553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).