N-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide

C18H28N2O5 — CID 3095230

IUPACN-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide
SMILESO=C(CN1CCOCCOCCOCCOCC1)Nc1ccccc1
InChIInChI=1S/C18H28N2O5/c21-18(19-17-4-2-1-3-5-17)16-20-6-8-22-10-12-24-14-15-25-13-11-23-9-7-20/h1-5H,6-16H2,(H,19,21)
InChIKeyNACVKRQNUQZXAB-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.01
Rot. Bonds3

About N-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide

N-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide (PubChem CID 3095230) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide.

Molecular Properties

Compound NameN-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide
PubChem CID3095230
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC NameN-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide
SMILESO=C(CN1CCOCCOCCOCCOCC1)Nc1ccccc1
InChIInChI=1S/C18H28N2O5/c21-18(19-17-4-2-1-3-5-17)16-20-6-8-22-10-12-24-14-15-25-13-11-23-9-7-20/h1-5H,6-16H2,(H,19,21)
InChIKeyNACVKRQNUQZXAB-UHFFFAOYSA-N
XLogP1.01
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide?
The IUPAC name of N-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide (CID 3095230) is N-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide.
What is the SMILES notation for N-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide?
The canonical SMILES for N-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide is O=C(CN1CCOCCOCCOCCOCC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide?
The InChIKey is NACVKRQNUQZXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c21-18(19-17-4-2-1-3-5-17)16-20-6-8-22-10-12-24-14-15-25-13-11-23-9-7-20/h1-5H,6-16H2,(H,19,21).
What are the key properties of N-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide?
N-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)acetamide is sourced from PubChem (CID 3095230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).