2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate

C28H54N4O6 — CID 18691694

IUPAC2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate
SMILESCC1CN(C(C)(C)OC(=O)NCCCCCCNC(=O)OC(C)(C)N2CC(C)OC2C(C)C)C(C(C)C)O1
InChIInChI=1S/C28H54N4O6/c1-19(2)23-31(17-21(5)35-23)27(7,8)37-25(33)29-15-13-11-12-14-16-30-26(34)38-28(9,10)32-18-22(6)36-24(32)20(3)4/h19-24H,11-18H2,1-10H3,(H,29,33)(H,30,34)
InChIKeySDUUTZNTHKSQDP-UHFFFAOYSA-N
MW542.76 g/mol
LogP4.88
Rot. Bonds13

About 2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate

2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate (PubChem CID 18691694) has the molecular formula C28H54N4O6 and a molecular weight of 542.76 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate
PubChem CID18691694
Molecular FormulaC28H54N4O6
Molecular Weight542.76 g/mol
Exact Mass542.40
IUPAC Name2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate
SMILESCC1CN(C(C)(C)OC(=O)NCCCCCCNC(=O)OC(C)(C)N2CC(C)OC2C(C)C)C(C(C)C)O1
InChIInChI=1S/C28H54N4O6/c1-19(2)23-31(17-21(5)35-23)27(7,8)37-25(33)29-15-13-11-12-14-16-30-26(34)38-28(9,10)32-18-22(6)36-24(32)20(3)4/h19-24H,11-18H2,1-10H3,(H,29,33)(H,30,34)
InChIKeySDUUTZNTHKSQDP-UHFFFAOYSA-N
XLogP4.88
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.76
LogP ≤ 54.88
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-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate?
The IUPAC name of 2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate (CID 18691694) is 2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate.
What is the SMILES notation for 2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate?
The canonical SMILES for 2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate is CC1CN(C(C)(C)OC(=O)NCCCCCCNC(=O)OC(C)(C)N2CC(C)OC2C(C)C)C(C(C)C)O1.
What is the InChIKey of 2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate?
The InChIKey is SDUUTZNTHKSQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4O6/c1-19(2)23-31(17-21(5)35-23)27(7,8)37-25(33)29-15-13-11-12-14-16-30-26(34)38-28(9,10)32-18-22(6)36-24(32)20(3)4/h19-24H,11-18H2,1-10H3,(H,29,33)(H,30,34).
What are the key properties of 2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate?
2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate has a molecular weight of 542.76 g/mol, XLogP of 4.88, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yl N-[6-[2-(5-methyl-2-propan-2-yl-1,3-oxazolidin-3-yl)propan-2-yloxycarbonylamino]hexyl]carbamate is sourced from PubChem (CID 18691694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).