(3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate

C23H27N3O4 — CID 68979242

IUPAC(3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate
SMILESCC(NC(=O)ON1CCC2(CC1)CN(Cc1ccccc1)C(=O)O2)c1ccccc1
InChIInChI=1S/C23H27N3O4/c1-18(20-10-6-3-7-11-20)24-21(27)30-26-14-12-23(13-15-26)17-25(22(28)29-23)16-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,24,27)
InChIKeyJPXJGUQXMPIPKR-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.88
Rot. Bonds5

About (3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate

(3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate (PubChem CID 68979242) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is (3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate.

Molecular Properties

Compound Name(3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate
PubChem CID68979242
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name(3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate
SMILESCC(NC(=O)ON1CCC2(CC1)CN(Cc1ccccc1)C(=O)O2)c1ccccc1
InChIInChI=1S/C23H27N3O4/c1-18(20-10-6-3-7-11-20)24-21(27)30-26-14-12-23(13-15-26)17-25(22(28)29-23)16-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,24,27)
InChIKeyJPXJGUQXMPIPKR-UHFFFAOYSA-N
XLogP3.88
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate?
The IUPAC name of (3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate (CID 68979242) is (3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate.
What is the SMILES notation for (3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate?
The canonical SMILES for (3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate is CC(NC(=O)ON1CCC2(CC1)CN(Cc1ccccc1)C(=O)O2)c1ccccc1.
What is the InChIKey of (3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate?
The InChIKey is JPXJGUQXMPIPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-18(20-10-6-3-7-11-20)24-21(27)30-26-14-12-23(13-15-26)17-25(22(28)29-23)16-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,24,27).
What are the key properties of (3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate?
(3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate has a molecular weight of 409.49 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl) N-(1-phenylethyl)carbamate is sourced from PubChem (CID 68979242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).