2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide

C8H17N3O3 — CID 112674039

IUPAC2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide
SMILESCCCCNC(=O)CNOCC(N)=O
InChIInChI=1S/C8H17N3O3/c1-2-3-4-10-8(13)5-11-14-6-7(9)12/h11H,2-6H2,1H3,(H2,9,12)(H,10,13)
InChIKeyGPGCAAAUWLTBAI-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.09
Rot. Bonds8

About 2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide

2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide (PubChem CID 112674039) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide
PubChem CID112674039
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide
SMILESCCCCNC(=O)CNOCC(N)=O
InChIInChI=1S/C8H17N3O3/c1-2-3-4-10-8(13)5-11-14-6-7(9)12/h11H,2-6H2,1H3,(H2,9,12)(H,10,13)
InChIKeyGPGCAAAUWLTBAI-UHFFFAOYSA-N
XLogP-1.09
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide?
The IUPAC name of 2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide (CID 112674039) is 2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide is CCCCNC(=O)CNOCC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide?
The InChIKey is GPGCAAAUWLTBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-2-3-4-10-8(13)5-11-14-6-7(9)12/h11H,2-6H2,1H3,(H2,9,12)(H,10,13).
What are the key properties of 2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide?
2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide has a molecular weight of 203.24 g/mol, XLogP of -1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethoxy)amino]-N-butylacetamide is sourced from PubChem (CID 112674039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).