3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

C20H27N3O4 — CID 91922067

IUPAC3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCOCC1CN(C)CC12CCN(C(=O)Cn1c(=O)oc3ccccc31)CC2
InChIInChI=1S/C20H27N3O4/c1-21-11-15(13-26-2)20(14-21)7-9-22(10-8-20)18(24)12-23-16-5-3-4-6-17(16)27-19(23)25/h3-6,15H,7-14H2,1-2H3
InChIKeyVQEZNXWLHQQHFE-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.41
Rot. Bonds4

About 3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 91922067) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID91922067
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCOCC1CN(C)CC12CCN(C(=O)Cn1c(=O)oc3ccccc31)CC2
InChIInChI=1S/C20H27N3O4/c1-21-11-15(13-26-2)20(14-21)7-9-22(10-8-20)18(24)12-23-16-5-3-4-6-17(16)27-19(23)25/h3-6,15H,7-14H2,1-2H3
InChIKeyVQEZNXWLHQQHFE-UHFFFAOYSA-N
XLogP1.41
TPSA67.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (CID 91922067) is 3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is COCC1CN(C)CC12CCN(C(=O)Cn1c(=O)oc3ccccc31)CC2.
What is the InChIKey of 3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is VQEZNXWLHQQHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-21-11-15(13-26-2)20(14-21)7-9-22(10-8-20)18(24)12-23-16-5-3-4-6-17(16)27-19(23)25/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 373.45 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 91922067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).