2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate

C18H34N4O6 — CID 18691701

IUPAC2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate
SMILESO=C(NCCCCCCNC(=O)OCCN1CCOC1)OCCN1CCOC1
InChIInChI=1S/C18H34N4O6/c23-17(27-13-9-21-7-11-25-15-21)19-5-3-1-2-4-6-20-18(24)28-14-10-22-8-12-26-16-22/h1-16H2,(H,19,23)(H,20,24)
InChIKeyNDHPKVACUUBDLD-UHFFFAOYSA-N
MW402.49 g/mol
LogP0.58
Rot. Bonds13

About 2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate

2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate (PubChem CID 18691701) has the molecular formula C18H34N4O6 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate.

Molecular Properties

Compound Name2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate
PubChem CID18691701
Molecular FormulaC18H34N4O6
Molecular Weight402.49 g/mol
Exact Mass402.25
IUPAC Name2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate
SMILESO=C(NCCCCCCNC(=O)OCCN1CCOC1)OCCN1CCOC1
InChIInChI=1S/C18H34N4O6/c23-17(27-13-9-21-7-11-25-15-21)19-5-3-1-2-4-6-20-18(24)28-14-10-22-8-12-26-16-22/h1-16H2,(H,19,23)(H,20,24)
InChIKeyNDHPKVACUUBDLD-UHFFFAOYSA-N
XLogP0.58
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate?
The IUPAC name of 2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate (CID 18691701) is 2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate.
What is the SMILES notation for 2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate?
The canonical SMILES for 2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate is O=C(NCCCCCCNC(=O)OCCN1CCOC1)OCCN1CCOC1.
What is the InChIKey of 2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate?
The InChIKey is NDHPKVACUUBDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O6/c23-17(27-13-9-21-7-11-25-15-21)19-5-3-1-2-4-6-20-18(24)28-14-10-22-8-12-26-16-22/h1-16H2,(H,19,23)(H,20,24).
What are the key properties of 2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate?
2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate has a molecular weight of 402.49 g/mol, XLogP of 0.58, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazolidin-3-yl)ethyl N-[6-[2-(1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate is sourced from PubChem (CID 18691701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).