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

C26H53NO7 — CID 146549609

IUPACN-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]oxyethoxy]ethoxy]acetamide
SMILESCC(C)(C)NC(=O)COCCOCCOC(C)(C)CCC(C)(C)OCCOCCOC(C)(C)C
InChIInChI=1S/C26H53NO7/c1-23(2,3)27-22(28)21-31-14-13-29-16-19-33-25(7,8)11-12-26(9,10)34-20-17-30-15-18-32-24(4,5)6/h11-21H2,1-10H3,(H,27,28)
InChIKeySWDMOPPAXHSUTO-UHFFFAOYSA-N
MW491.71 g/mol
LogP4.14
Rot. Bonds19

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

N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]oxyethoxy]ethoxy]acetamide (PubChem CID 146549609) has the molecular formula C26H53NO7 and a molecular weight of 491.71 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]oxyethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]oxyethoxy]ethoxy]acetamide
PubChem CID146549609
Molecular FormulaC26H53NO7
Molecular Weight491.71 g/mol
Exact Mass491.38
IUPAC NameN-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]oxyethoxy]ethoxy]acetamide
SMILESCC(C)(C)NC(=O)COCCOCCOC(C)(C)CCC(C)(C)OCCOCCOC(C)(C)C
InChIInChI=1S/C26H53NO7/c1-23(2,3)27-22(28)21-31-14-13-29-16-19-33-25(7,8)11-12-26(9,10)34-20-17-30-15-18-32-24(4,5)6/h11-21H2,1-10H3,(H,27,28)
InChIKeySWDMOPPAXHSUTO-UHFFFAOYSA-N
XLogP4.14
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.71
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]oxyethoxy]ethoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]oxyethoxy]ethoxy]acetamide (CID 146549609) is N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]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-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]oxyethoxy]ethoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]oxyethoxy]ethoxy]acetamide is CC(C)(C)NC(=O)COCCOCCOC(C)(C)CCC(C)(C)OCCOCCOC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]oxyethoxy]ethoxy]acetamide?
The InChIKey is SWDMOPPAXHSUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO7/c1-23(2,3)27-22(28)21-31-14-13-29-16-19-33-25(7,8)11-12-26(9,10)34-20-17-30-15-18-32-24(4,5)6/h11-21H2,1-10H3,(H,27,28).
What are the key properties of N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]oxyethoxy]ethoxy]acetamide?
N-tert-butyl-2-[2-[2-[2,5-dimethyl-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]oxyethoxy]ethoxy]acetamide has a molecular weight of 491.71 g/mol, XLogP of 4.14, 19 rotatable bonds, 1 hydrogen bond donors, and 7 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-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]oxyethoxy]ethoxy]acetamide is sourced from PubChem (CID 146549609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).