2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide

C10H19N3O3 — CID 62921718

IUPAC2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide
SMILESCC(=O)CCCCN(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H19N3O3/c1-8(14)4-2-3-5-13(6-9(11)15)7-10(12)16/h2-7H2,1H3,(H2,11,15)(H2,12,16)
InChIKeyJIGBLVVLOWVUPD-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.98
Rot. Bonds9

About 2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide

2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide (PubChem CID 62921718) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide
PubChem CID62921718
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide
SMILESCC(=O)CCCCN(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H19N3O3/c1-8(14)4-2-3-5-13(6-9(11)15)7-10(12)16/h2-7H2,1H3,(H2,11,15)(H2,12,16)
InChIKeyJIGBLVVLOWVUPD-UHFFFAOYSA-N
XLogP-0.98
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[bis(2-hydroxyethyl)amino]hexan-2-one
CID 62050853
2-[bis[2-[bis(2-amino-2-oxoethyl)amino]ethyl]amino]acetamide
CID 10134862
6-[ethyl(propyl)amino]hexan-2-one
CID 43792940
2-[3-(diethylamino)propyl-ethylamino]acetamide
CID 102996272
6-[bis(3-methylbutyl)amino]hexan-2-one
CID 107870512
dotriactane-2,7,8,13,14,19,20,25,26,31,32,37,38,43,44,49,50,55,56,61,62,67,68,73,74,79,80,85,86,91,92,97,98,103,104,109,110,115,116,121,122,127,128,133,134,139,140,145,146,151,152,157,158,163,164,169,170,175,176,181,182,187,188,193,194,199,200,205,206,211,212,217,218,223,224,229,230,235,236,241,242,247,248,253,254,259,260,265,266,271,272,277,278,283,284,289,290,295,296,301-hectone
CID 140812366
2-[ethyl(2-oxopropyl)amino]acetamide
CID 103103058
2-[ethyl(5-oxohexyl)amino]-N-methylacetamide
CID 62052639
3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid
CID 82326746
7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
CID 171562657
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide (CID 62921718) is 2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide is CC(=O)CCCCN(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide?
The InChIKey is JIGBLVVLOWVUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-8(14)4-2-3-5-13(6-9(11)15)7-10(12)16/h2-7H2,1H3,(H2,11,15)(H2,12,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide has a molecular weight of 229.28 g/mol, XLogP of -0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide is sourced from PubChem (CID 62921718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).