2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide

C6H13N3O3 — CID 118604726

IUPAC2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide
SMILESCNC(=O)COCC(=O)NCN
InChIInChI=1S/C6H13N3O3/c1-8-5(10)2-12-3-6(11)9-4-7/h2-4,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyCYVNPJPFMWMAJK-UHFFFAOYSA-N
MW175.19 g/mol
LogP-2.22
Rot. Bonds5

About 2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide

2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide (PubChem CID 118604726) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide
PubChem CID118604726
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide
SMILESCNC(=O)COCC(=O)NCN
InChIInChI=1S/C6H13N3O3/c1-8-5(10)2-12-3-6(11)9-4-7/h2-4,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyCYVNPJPFMWMAJK-UHFFFAOYSA-N
XLogP-2.22
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(ethylamino)-2-oxoethoxy]-N-methylacetamide
CID 90077876
2-(3-amino-2-oxopropoxy)-N-methylacetamide
CID 59513074
2-(2-fluoroethoxy)-N-methylacetamide
CID 155326209
N-ethyl-2-[2-(ethylamino)-2-oxoethoxy]acetamide
CID 13126647
2-[2-(2-hydroxyethoxy)ethoxy]-N-methylacetamide
CID 142368848
ethene;2-ethoxy-N-methylacetamide
CID 123508760
N-methyl-2-(2-methylpropoxy)acetamide
CID 145404647
N-methyl-2-[2-(2-oxopropoxy)ethoxy]acetamide
CID 59773137
2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
CID 22961397
N-methyl-2-[2-(methylamino)ethoxy]acetamide
CID 54595045
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434
2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-methylacetamide
CID 139325518

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide (CID 118604726) is 2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide is CNC(=O)COCC(=O)NCN.
What is the InChIKey of 2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide?
The InChIKey is CYVNPJPFMWMAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-8-5(10)2-12-3-6(11)9-4-7/h2-4,7H2,1H3,(H,8,10)(H,9,11).
What are the key properties of 2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide?
2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide has a molecular weight of 175.19 g/mol, XLogP of -2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide is sourced from PubChem (CID 118604726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).