N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide

C18H35NO7 — CID 155141144

IUPACN-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide
SMILESCC(C)(C)NC(=O)CC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C18H35NO7/c1-18(2,3)19-17(20)14-16-15-25-11-10-23-7-6-21-4-5-22-8-9-24-12-13-26-16/h16H,4-15H2,1-3H3,(H,19,20)
InChIKeyVWMBJEDDORSNEV-UHFFFAOYSA-N
MW377.48 g/mol
LogP0.77
Rot. Bonds2

About N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide

N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide (PubChem CID 155141144) has the molecular formula C18H35NO7 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide
PubChem CID155141144
Molecular FormulaC18H35NO7
Molecular Weight377.48 g/mol
Exact Mass377.24
IUPAC NameN-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide
SMILESCC(C)(C)NC(=O)CC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C18H35NO7/c1-18(2,3)19-17(20)14-16-15-25-11-10-23-7-6-21-4-5-22-8-9-24-12-13-26-16/h16H,4-15H2,1-3H3,(H,19,20)
InChIKeyVWMBJEDDORSNEV-UHFFFAOYSA-N
XLogP0.77
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide (CID 155141144) is N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide is CC(C)(C)NC(=O)CC1COCCOCCOCCOCCOCCO1.
What is the InChIKey of N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide?
The InChIKey is VWMBJEDDORSNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO7/c1-18(2,3)19-17(20)14-16-15-25-11-10-23-7-6-21-4-5-22-8-9-24-12-13-26-16/h16H,4-15H2,1-3H3,(H,19,20).
What are the key properties of N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide?
N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide has a molecular weight of 377.48 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide is sourced from PubChem (CID 155141144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).