3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one

C13H26N2O5 — CID 3088170

IUPAC3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one
SMILESNCCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C13H26N2O5/c14-2-1-13(16)15-3-5-17-7-9-19-11-12-20-10-8-18-6-4-15/h1-12,14H2
InChIKeyUVUJUXGQLFHLEQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP-0.76
Rot. Bonds2

About 3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one

3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one (PubChem CID 3088170) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one
PubChem CID3088170
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Name3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one
SMILESNCCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C13H26N2O5/c14-2-1-13(16)15-3-5-17-7-9-19-11-12-20-10-8-18-6-4-15/h1-12,14H2
InChIKeyUVUJUXGQLFHLEQ-UHFFFAOYSA-N
XLogP-0.76
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one?
The IUPAC name of 3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one (CID 3088170) is 3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one is NCCC(=O)N1CCOCCOCCOCCOCC1.
What is the InChIKey of 3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one?
The InChIKey is UVUJUXGQLFHLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5/c14-2-1-13(16)15-3-5-17-7-9-19-11-12-20-10-8-18-6-4-15/h1-12,14H2.
What are the key properties of 3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one?
3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one has a molecular weight of 290.36 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one is sourced from PubChem (CID 3088170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).