N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide

C30H62N2O8 — CID 135216924

IUPACN-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide
SMILESCC(C)(C)NC(=O)COCCOCCOC(C)(C)CCC(C)(C)NCCOCCOCCOCCOC(C)(C)C
InChIInChI=1S/C30H62N2O8/c1-27(2,3)32-26(33)25-38-20-19-37-22-24-40-30(9,10)12-11-29(7,8)31-13-14-34-15-16-35-17-18-36-21-23-39-28(4,5)6/h31H,11-25H2,1-10H3,(H,32,33)
InChIKeyOUTDPENTMFOCSU-UHFFFAOYSA-N
MW578.83 g/mol
LogP3.74
Rot. Bonds25

About N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide

N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide (PubChem CID 135216924) has the molecular formula C30H62N2O8 and a molecular weight of 578.83 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide
PubChem CID135216924
Molecular FormulaC30H62N2O8
Molecular Weight578.83 g/mol
Exact Mass578.45
IUPAC NameN-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide
SMILESCC(C)(C)NC(=O)COCCOCCOC(C)(C)CCC(C)(C)NCCOCCOCCOCCOC(C)(C)C
InChIInChI=1S/C30H62N2O8/c1-27(2,3)32-26(33)25-38-20-19-37-22-24-40-30(9,10)12-11-29(7,8)31-13-14-34-15-16-35-17-18-36-21-23-39-28(4,5)6/h31H,11-25H2,1-10H3,(H,32,33)
InChIKeyOUTDPENTMFOCSU-UHFFFAOYSA-N
XLogP3.74
TPSA105.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.83
LogP ≤ 53.74
H-Bond Donors ≤ 52
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 N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide (CID 135216924) is N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide is CC(C)(C)NC(=O)COCCOCCOC(C)(C)CCC(C)(C)NCCOCCOCCOCCOC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide?
The InChIKey is OUTDPENTMFOCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62N2O8/c1-27(2,3)32-26(33)25-38-20-19-37-22-24-40-30(9,10)12-11-29(7,8)31-13-14-34-15-16-35-17-18-36-21-23-39-28(4,5)6/h31H,11-25H2,1-10H3,(H,32,33).
What are the key properties of N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide?
N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide has a molecular weight of 578.83 g/mol, XLogP of 3.74, 25 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethylamino]hexan-2-yl]oxyethoxy]ethoxy]acetamide is sourced from PubChem (CID 135216924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).