N-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide

C28H57NO5 — CID 135278919

IUPACN-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide
SMILESCC(C)(CCC(C)(C)OCCCCCOC(C)(C)C)NC(=O)COCCCCCOC(C)(C)C
InChIInChI=1S/C28H57NO5/c1-25(2,3)32-20-14-11-13-19-31-23-24(30)29-27(7,8)17-18-28(9,10)34-22-16-12-15-21-33-26(4,5)6/h11-23H2,1-10H3,(H,29,30)
InChIKeyULYVJFBUFBEIHB-UHFFFAOYSA-N
MW487.77 g/mol
LogP6.44
Rot. Bonds19

About N-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide

N-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide (PubChem CID 135278919) has the molecular formula C28H57NO5 and a molecular weight of 487.77 g/mol. Its IUPAC name is N-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide
PubChem CID135278919
Molecular FormulaC28H57NO5
Molecular Weight487.77 g/mol
Exact Mass487.42
IUPAC NameN-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide
SMILESCC(C)(CCC(C)(C)OCCCCCOC(C)(C)C)NC(=O)COCCCCCOC(C)(C)C
InChIInChI=1S/C28H57NO5/c1-25(2,3)32-20-14-11-13-19-31-23-24(30)29-27(7,8)17-18-28(9,10)34-22-16-12-15-21-33-26(4,5)6/h11-23H2,1-10H3,(H,29,30)
InChIKeyULYVJFBUFBEIHB-UHFFFAOYSA-N
XLogP6.44
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.77
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide?
The IUPAC name of N-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide (CID 135278919) is N-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide.
What is the SMILES notation for N-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide?
The canonical SMILES for N-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide is CC(C)(CCC(C)(C)OCCCCCOC(C)(C)C)NC(=O)COCCCCCOC(C)(C)C.
What is the InChIKey of N-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide?
The InChIKey is ULYVJFBUFBEIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO5/c1-25(2,3)32-20-14-11-13-19-31-23-24(30)29-27(7,8)17-18-28(9,10)34-22-16-12-15-21-33-26(4,5)6/h11-23H2,1-10H3,(H,29,30).
What are the key properties of N-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide?
N-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide has a molecular weight of 487.77 g/mol, XLogP of 6.44, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide is sourced from PubChem (CID 135278919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).