2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide

C10H20N2O4 — CID 44791279

IUPAC2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide
SMILESNC(=O)CN1CCOCCOCCOCC1
InChIInChI=1S/C10H20N2O4/c11-10(13)9-12-1-3-14-5-7-16-8-6-15-4-2-12/h1-9H2,(H2,11,13)
InChIKeyIVFJLWUSMLLHKB-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.16
Rot. Bonds2

About 2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide

2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide (PubChem CID 44791279) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide.

Molecular Properties

Compound Name2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide
PubChem CID44791279
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide
SMILESNC(=O)CN1CCOCCOCCOCC1
InChIInChI=1S/C10H20N2O4/c11-10(13)9-12-1-3-14-5-7-16-8-6-15-4-2-12/h1-9H2,(H2,11,13)
InChIKeyIVFJLWUSMLLHKB-UHFFFAOYSA-N
XLogP-1.16
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[10-(2-Amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide
CID 1354245
2-(13-Carbamoylmethyl-1,4,10-trioxa-7,13-diaza-cyclopentadec-7-yl)-acetamide
CID 3095229
2-(1,4,7,10,13-Pentaoxa-16-aza-cyclooctadec-16-yl)-acetamide
CID 623957
Smr000118449
CID 2829034
N-(Aminoacetyl)-1-aza-4,7,10-13-tetraoxacyclopentadecane
CID 128593
N,N-dimethyl-2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide
CID 14709710
1,4-Dioxa-7,10,13-triazacyclopentadecane-8,12-dione
CID 12997860
2-[2-[2-(2-Aminoethoxy)ethoxy]ethylamino]acetamide
CID 135040291
N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide
CID 10044074
N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide
CID 10245233
N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide
CID 10341183
4,7,13,16-Tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane-19,23-dione
CID 17995435

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide?
The IUPAC name of 2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide (CID 44791279) is 2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide.
What is the SMILES notation for 2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide?
The canonical SMILES for 2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide is NC(=O)CN1CCOCCOCCOCC1.
What is the InChIKey of 2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide?
The InChIKey is IVFJLWUSMLLHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c11-10(13)9-12-1-3-14-5-7-16-8-6-15-4-2-12/h1-9H2,(H2,11,13).
What are the key properties of 2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide?
2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide has a molecular weight of 232.28 g/mol, XLogP of -1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,7-trioxa-10-azacyclododec-10-yl)acetamide is sourced from PubChem (CID 44791279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).