ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate

C17H27N3O6 — CID 59096689

IUPACethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate
SMILESCCOC(=O)NCCCC(=O)N1CCC2(CC1)CN(CC(C)=O)C(=O)O2
InChIInChI=1S/C17H27N3O6/c1-3-25-15(23)18-8-4-5-14(22)19-9-6-17(7-10-19)12-20(11-13(2)21)16(24)26-17/h3-12H2,1-2H3,(H,18,23)
InChIKeyMDUDCOSBWYZGNW-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.92
Rot. Bonds7

About ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate

ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate (PubChem CID 59096689) has the molecular formula C17H27N3O6 and a molecular weight of 369.42 g/mol. Its IUPAC name is ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate
PubChem CID59096689
Molecular FormulaC17H27N3O6
Molecular Weight369.42 g/mol
Exact Mass369.19
IUPAC Nameethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate
SMILESCCOC(=O)NCCCC(=O)N1CCC2(CC1)CN(CC(C)=O)C(=O)O2
InChIInChI=1S/C17H27N3O6/c1-3-25-15(23)18-8-4-5-14(22)19-9-6-17(7-10-19)12-20(11-13(2)21)16(24)26-17/h3-12H2,1-2H3,(H,18,23)
InChIKeyMDUDCOSBWYZGNW-UHFFFAOYSA-N
XLogP0.92
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate?
The IUPAC name of ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate (CID 59096689) is ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate.
What is the SMILES notation for ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate?
The canonical SMILES for ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate is CCOC(=O)NCCCC(=O)N1CCC2(CC1)CN(CC(C)=O)C(=O)O2.
What is the InChIKey of ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate?
The InChIKey is MDUDCOSBWYZGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O6/c1-3-25-15(23)18-8-4-5-14(22)19-9-6-17(7-10-19)12-20(11-13(2)21)16(24)26-17/h3-12H2,1-2H3,(H,18,23).
What are the key properties of ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate?
ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate has a molecular weight of 369.42 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-oxo-4-[2-oxo-3-(2-oxopropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butyl]carbamate is sourced from PubChem (CID 59096689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).