2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide

C14H30N4O5+2 — CID 7065669

IUPAC2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide
SMILESNC(=O)C[NH+]1CCOCCOCC[NH+](CC(N)=O)CCOCC1
InChIInChI=1S/C14H28N4O5/c15-13(19)11-17-1-5-21-6-2-18(12-14(16)20)4-8-23-10-9-22-7-3-17/h1-12H2,(H2,15,19)(H2,16,20)/p+2
InChIKeyYLFVLWDZNDUQGG-UHFFFAOYSA-P
MW334.42 g/mol
LogP-5.21
Rot. Bonds4

About 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide

2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide (PubChem CID 7065669) has the molecular formula C14H30N4O5+2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide.

Molecular Properties

Compound Name2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide
PubChem CID7065669
Molecular FormulaC14H30N4O5+2
Molecular Weight334.42 g/mol
Exact Mass334.22
IUPAC Name2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide
SMILESNC(=O)C[NH+]1CCOCCOCC[NH+](CC(N)=O)CCOCC1
InChIInChI=1S/C14H28N4O5/c15-13(19)11-17-1-5-21-6-2-18(12-14(16)20)4-8-23-10-9-22-7-3-17/h1-12H2,(H2,15,19)(H2,16,20)/p+2
InChIKeyYLFVLWDZNDUQGG-UHFFFAOYSA-P
XLogP-5.21
TPSA122.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-5.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide?
The IUPAC name of 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide (CID 7065669) is 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide.
What is the SMILES notation for 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide?
The canonical SMILES for 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide is NC(=O)C[NH+]1CCOCCOCC[NH+](CC(N)=O)CCOCC1.
What is the InChIKey of 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide?
The InChIKey is YLFVLWDZNDUQGG-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H28N4O5/c15-13(19)11-17-1-5-21-6-2-18(12-14(16)20)4-8-23-10-9-22-7-3-17/h1-12H2,(H2,15,19)(H2,16,20)/p+2.
What are the key properties of 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide?
2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of -5.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide is sourced from PubChem (CID 7065669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).