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

C24H46N4O6 — CID 56975659

IUPAC1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate
SMILESCC(C)C1OCCN1C(C)OC(=O)NCCCCCCNC(=O)OC(C)N1CCOC1C(C)C
InChIInChI=1S/C24H46N4O6/c1-17(2)21-27(13-15-31-21)19(5)33-23(29)25-11-9-7-8-10-12-26-24(30)34-20(6)28-14-16-32-22(28)18(3)4/h17-22H,7-16H2,1-6H3,(H,25,29)(H,26,30)
InChIKeyHWVFLTUIBRTPQX-UHFFFAOYSA-N
MW486.65 g/mol
LogP3.32
Rot. Bonds13

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

1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate (PubChem CID 56975659) has the molecular formula C24H46N4O6 and a molecular weight of 486.65 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate
PubChem CID56975659
Molecular FormulaC24H46N4O6
Molecular Weight486.65 g/mol
Exact Mass486.34
IUPAC Name1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate
SMILESCC(C)C1OCCN1C(C)OC(=O)NCCCCCCNC(=O)OC(C)N1CCOC1C(C)C
InChIInChI=1S/C24H46N4O6/c1-17(2)21-27(13-15-31-21)19(5)33-23(29)25-11-9-7-8-10-12-26-24(30)34-20(6)28-14-16-32-22(28)18(3)4/h17-22H,7-16H2,1-6H3,(H,25,29)(H,26,30)
InChIKeyHWVFLTUIBRTPQX-UHFFFAOYSA-N
XLogP3.32
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.65
LogP ≤ 53.32
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 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate?
The IUPAC name of 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate (CID 56975659) is 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate.
What is the SMILES notation for 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate?
The canonical SMILES for 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate is CC(C)C1OCCN1C(C)OC(=O)NCCCCCCNC(=O)OC(C)N1CCOC1C(C)C.
What is the InChIKey of 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate?
The InChIKey is HWVFLTUIBRTPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O6/c1-17(2)21-27(13-15-31-21)19(5)33-23(29)25-11-9-7-8-10-12-26-24(30)34-20(6)28-14-16-32-22(28)18(3)4/h17-22H,7-16H2,1-6H3,(H,25,29)(H,26,30).
What are the key properties of 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate?
1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate has a molecular weight of 486.65 g/mol, XLogP of 3.32, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate is sourced from PubChem (CID 56975659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).