2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide

C12H24N4O4 — CID 1354245

IUPAC2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide
SMILESNC(=O)CN1CCOCCN(CC(N)=O)CCOCC1
InChIInChI=1S/C12H24N4O4/c13-11(17)9-15-1-5-19-7-3-16(10-12(14)18)4-8-20-6-2-15/h1-10H2,(H2,13,17)(H2,14,18)
InChIKeyFNCGTOSKOPIBSD-UHFFFAOYSA-N
MW288.35 g/mol
LogP-2.39
Rot. Bonds4

About 2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide

2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide (PubChem CID 1354245) has the molecular formula C12H24N4O4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide.

Molecular Properties

Compound Name2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide
PubChem CID1354245
Molecular FormulaC12H24N4O4
Molecular Weight288.35 g/mol
Exact Mass288.18
IUPAC Name2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide
SMILESNC(=O)CN1CCOCCN(CC(N)=O)CCOCC1
InChIInChI=1S/C12H24N4O4/c13-11(17)9-15-1-5-19-7-3-16(10-12(14)18)4-8-20-6-2-15/h1-10H2,(H2,13,17)(H2,14,18)
InChIKeyFNCGTOSKOPIBSD-UHFFFAOYSA-N
XLogP-2.39
TPSA111.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-2.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
1,10-Dioxa-4,7,13,16-tetraazacyclooctadecane-5,6,14,15-tetrone
CID 550983
2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide
CID 14709711
2-(1,4,7-Trioxa-10-azacyclododec-10-yl)acetamide
CID 44791279
2-[2-[2-(2-Aminoethoxy)ethoxy]ethylamino]acetamide
CID 135040291
N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide
CID 10245233
2-[(2-Amino-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]amino]acetamide
CID 20665030
2-(2-Morpholin-4-ylethylamino)acetamide
CID 28583034
2-[Bis(2-methoxyethyl)amino]acetamide
CID 39257751
2-(dimethylamino)-N-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethyl]acetamide
CID 53386001

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide?
The IUPAC name of 2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide (CID 1354245) is 2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide.
What is the SMILES notation for 2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide?
The canonical SMILES for 2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide is NC(=O)CN1CCOCCN(CC(N)=O)CCOCC1.
What is the InChIKey of 2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide?
The InChIKey is FNCGTOSKOPIBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O4/c13-11(17)9-15-1-5-19-7-3-16(10-12(14)18)4-8-20-6-2-15/h1-10H2,(H2,13,17)(H2,14,18).
What are the key properties of 2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide?
2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide has a molecular weight of 288.35 g/mol, XLogP of -2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(2-amino-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide is sourced from PubChem (CID 1354245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).