benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate

C17H22N2O5 — CID 53420104

IUPACbenzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate
SMILESO=C1CCC(=O)N(CCCCCNC(=O)OCc2ccccc2)O1
InChIInChI=1S/C17H22N2O5/c20-15-9-10-16(21)24-19(15)12-6-2-5-11-18-17(22)23-13-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,22)
InChIKeyIEDULNJLEXNUPP-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.16
Rot. Bonds8

About benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate

benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate (PubChem CID 53420104) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate
PubChem CID53420104
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Namebenzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate
SMILESO=C1CCC(=O)N(CCCCCNC(=O)OCc2ccccc2)O1
InChIInChI=1S/C17H22N2O5/c20-15-9-10-16(21)24-19(15)12-6-2-5-11-18-17(22)23-13-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,22)
InChIKeyIEDULNJLEXNUPP-UHFFFAOYSA-N
XLogP2.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate?
The IUPAC name of benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate (CID 53420104) is benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate.
What is the SMILES notation for benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate?
The canonical SMILES for benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate is O=C1CCC(=O)N(CCCCCNC(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate?
The InChIKey is IEDULNJLEXNUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c20-15-9-10-16(21)24-19(15)12-6-2-5-11-18-17(22)23-13-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,22).
What are the key properties of benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate?
benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate has a molecular weight of 334.37 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-(3,6-dioxooxazinan-2-yl)pentyl]carbamate is sourced from PubChem (CID 53420104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).