2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide

C16H32N4O6 — CID 2829034

IUPAC2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide
SMILESNC(=O)CN1CCOCCOCCN(CC(N)=O)CCOCCOCC1
InChIInChI=1S/C16H32N4O6/c17-15(21)13-19-1-5-23-9-10-25-7-3-20(14-16(18)22)4-8-26-12-11-24-6-2-19/h1-14H2,(H2,17,21)(H2,18,22)
InChIKeyAXUHNKFJBCTBFC-UHFFFAOYSA-N
MW376.45 g/mol
LogP-2.36
Rot. Bonds4

About 2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide

2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide (PubChem CID 2829034) has the molecular formula C16H32N4O6 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide.

Molecular Properties

Compound Name2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide
PubChem CID2829034
Molecular FormulaC16H32N4O6
Molecular Weight376.45 g/mol
Exact Mass376.23
IUPAC Name2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide
SMILESNC(=O)CN1CCOCCOCCN(CC(N)=O)CCOCCOCC1
InChIInChI=1S/C16H32N4O6/c17-15(21)13-19-1-5-23-9-10-25-7-3-20(14-16(18)22)4-8-26-12-11-24-6-2-19/h1-14H2,(H2,17,21)(H2,18,22)
InChIKeyAXUHNKFJBCTBFC-UHFFFAOYSA-N
XLogP-2.36
TPSA129.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 5-2.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide?
The IUPAC name of 2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide (CID 2829034) is 2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide.
What is the SMILES notation for 2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide?
The canonical SMILES for 2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide is NC(=O)CN1CCOCCOCCN(CC(N)=O)CCOCCOCC1.
What is the InChIKey of 2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide?
The InChIKey is AXUHNKFJBCTBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O6/c17-15(21)13-19-1-5-23-9-10-25-7-3-20(14-16(18)22)4-8-26-12-11-24-6-2-19/h1-14H2,(H2,17,21)(H2,18,22).
What are the key properties of 2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide?
2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide has a molecular weight of 376.45 g/mol, XLogP of -2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[16-(2-amino-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide is sourced from PubChem (CID 2829034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).