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

C24H46N4O6 — CID 18691697

IUPAC2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate
SMILESCC(C)C1OCCN1CCOC(=O)N(CCCCCCN)C(=O)OCCN1CCOC1C(C)C
InChIInChI=1S/C24H46N4O6/c1-19(2)21-26(11-15-31-21)13-17-33-23(29)28(10-8-6-5-7-9-25)24(30)34-18-14-27-12-16-32-22(27)20(3)4/h19-22H,5-18,25H2,1-4H3
InChIKeyLNJARQONLCGJEY-UHFFFAOYSA-N
MW486.65 g/mol
LogP2.71
Rot. Bonds14

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

2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate (PubChem CID 18691697) has the molecular formula C24H46N4O6 and a molecular weight of 486.65 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate
PubChem CID18691697
Molecular FormulaC24H46N4O6
Molecular Weight486.65 g/mol
Exact Mass486.34
IUPAC Name2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate
SMILESCC(C)C1OCCN1CCOC(=O)N(CCCCCCN)C(=O)OCCN1CCOC1C(C)C
InChIInChI=1S/C24H46N4O6/c1-19(2)21-26(11-15-31-21)13-17-33-23(29)28(10-8-6-5-7-9-25)24(30)34-18-14-27-12-16-32-22(27)20(3)4/h19-22H,5-18,25H2,1-4H3
InChIKeyLNJARQONLCGJEY-UHFFFAOYSA-N
XLogP2.71
TPSA106.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.65
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate?
The IUPAC name of 2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate (CID 18691697) is 2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate.
What is the SMILES notation for 2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate?
The canonical SMILES for 2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate is CC(C)C1OCCN1CCOC(=O)N(CCCCCCN)C(=O)OCCN1CCOC1C(C)C.
What is the InChIKey of 2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate?
The InChIKey is LNJARQONLCGJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O6/c1-19(2)21-26(11-15-31-21)13-17-33-23(29)28(10-8-6-5-7-9-25)24(30)34-18-14-27-12-16-32-22(27)20(3)4/h19-22H,5-18,25H2,1-4H3.
What are the key properties of 2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate?
2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate has a molecular weight of 486.65 g/mol, XLogP of 2.71, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-(6-aminohexyl)-N-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonyl]carbamate is sourced from PubChem (CID 18691697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).