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

C14H28N4O5 — CID 3095229

IUPAC2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide
SMILESNC(=O)CN1CCOCCOCCN(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)
InChIKeyYLFVLWDZNDUQGG-UHFFFAOYSA-N
MW332.40 g/mol
LogP-2.38
Rot. Bonds4

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

2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide (PubChem CID 3095229) has the molecular formula C14H28N4O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide.

Molecular Properties

Compound Name2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide
PubChem CID3095229
Molecular FormulaC14H28N4O5
Molecular Weight332.40 g/mol
Exact Mass332.21
IUPAC Name2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide
SMILESNC(=O)CN1CCOCCOCCN(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)
InChIKeyYLFVLWDZNDUQGG-UHFFFAOYSA-N
XLogP-2.38
TPSA120.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 5-2.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-diazacyclopentadec-7-yl]acetamide?
The IUPAC name of 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide (CID 3095229) is 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide.
What is the SMILES notation for 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide?
The canonical SMILES for 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide is NC(=O)CN1CCOCCOCCN(CC(N)=O)CCOCC1.
What is the InChIKey of 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide?
The InChIKey is YLFVLWDZNDUQGG-UHFFFAOYSA-N. 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).
What are the key properties of 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide?
2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide has a molecular weight of 332.40 g/mol, XLogP of -2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide is sourced from PubChem (CID 3095229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).