1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone

C20H28N2O4 — CID 124883173

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone
SMILESCC1(C)C[C@H](O)c2cc(NCC(=O)N3CCC4(CC3)OCCO4)ccc21
InChIInChI=1S/C20H28N2O4/c1-19(2)12-17(23)15-11-14(3-4-16(15)19)21-13-18(24)22-7-5-20(6-8-22)25-9-10-26-20/h3-4,11,17,21,23H,5-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeySJHOMJIAOGVAAP-KRWDZBQOSA-N
MW360.45 g/mol
LogP2.18
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone (PubChem CID 124883173) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone
PubChem CID124883173
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone
SMILESCC1(C)C[C@H](O)c2cc(NCC(=O)N3CCC4(CC3)OCCO4)ccc21
InChIInChI=1S/C20H28N2O4/c1-19(2)12-17(23)15-11-14(3-4-16(15)19)21-13-18(24)22-7-5-20(6-8-22)25-9-10-26-20/h3-4,11,17,21,23H,5-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeySJHOMJIAOGVAAP-KRWDZBQOSA-N
XLogP2.18
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone (CID 124883173) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone is CC1(C)C[C@H](O)c2cc(NCC(=O)N3CCC4(CC3)OCCO4)ccc21.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone?
The InChIKey is SJHOMJIAOGVAAP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-19(2)12-17(23)15-11-14(3-4-16(15)19)21-13-18(24)22-7-5-20(6-8-22)25-9-10-26-20/h3-4,11,17,21,23H,5-10,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone has a molecular weight of 360.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone is sourced from PubChem (CID 124883173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).