N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide

C10H17N3O3 — CID 106236788

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide
SMILESCC(C)C(C#N)C(=O)NCCOCC(N)=O
InChIInChI=1S/C10H17N3O3/c1-7(2)8(5-11)10(15)13-3-4-16-6-9(12)14/h7-8H,3-4,6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyQZTXYDFLMDPXLJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.60
Rot. Bonds7

About N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide (PubChem CID 106236788) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide
PubChem CID106236788
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide
SMILESCC(C)C(C#N)C(=O)NCCOCC(N)=O
InChIInChI=1S/C10H17N3O3/c1-7(2)8(5-11)10(15)13-3-4-16-6-9(12)14/h7-8H,3-4,6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyQZTXYDFLMDPXLJ-UHFFFAOYSA-N
XLogP-0.60
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.60
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

2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide
CID 106235067
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
CID 106235091
2-cyano-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 107856882
2-[2-(1-cyanopropylamino)ethoxy]acetamide
CID 106237959
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 106236540
2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106842207
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide
CID 169159444
2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106034255
2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142651
2-[2-(2-methylpropylamino)ethoxy]acetamide
CID 106235482
2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 63243648

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide (CID 106236788) is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide is CC(C)C(C#N)C(=O)NCCOCC(N)=O.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide?
The InChIKey is QZTXYDFLMDPXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(2)8(5-11)10(15)13-3-4-16-6-9(12)14/h7-8H,3-4,6H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide has a molecular weight of 227.26 g/mol, XLogP of -0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide is sourced from PubChem (CID 106236788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).