2-[2-(1-cyanopropylamino)ethoxy]acetamide

C8H15N3O2 — CID 106237959

IUPAC2-[2-(1-cyanopropylamino)ethoxy]acetamide
SMILESCCC(C#N)NCCOCC(N)=O
InChIInChI=1S/C8H15N3O2/c1-2-7(5-9)11-3-4-13-6-8(10)12/h7,11H,2-4,6H2,1H3,(H2,10,12)
InChIKeyDKMQZCBFSQCZKE-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.62
Rot. Bonds7

About 2-[2-(1-cyanopropylamino)ethoxy]acetamide

2-[2-(1-cyanopropylamino)ethoxy]acetamide (PubChem CID 106237959) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[2-(1-cyanopropylamino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(1-cyanopropylamino)ethoxy]acetamide
PubChem CID106237959
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-[2-(1-cyanopropylamino)ethoxy]acetamide
SMILESCCC(C#N)NCCOCC(N)=O
InChIInChI=1S/C8H15N3O2/c1-2-7(5-9)11-3-4-13-6-8(10)12/h7,11H,2-4,6H2,1H3,(H2,10,12)
InChIKeyDKMQZCBFSQCZKE-UHFFFAOYSA-N
XLogP-0.62
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.62
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-[2-(heptan-3-ylamino)ethoxy]acetamide
CID 106235405
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide
CID 106236788
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
2-[2-(methylamino)ethoxy]acetamide;hydrochloride
CID 90229092
4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid
CID 106235413
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 106236540
2-[2-[1-(furan-2-yl)propylamino]ethoxy]acetamide
CID 106235398
ethyl 2-[2-(hex-1-yn-3-ylamino)ethoxy]acetate
CID 106231895
2-[2-(2-methylpropylamino)ethoxy]acetamide
CID 106235482
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)acetamide
CID 106236362
(2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid
CID 106239604

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyanopropylamino)ethoxy]acetamide?
The IUPAC name of 2-[2-(1-cyanopropylamino)ethoxy]acetamide (CID 106237959) is 2-[2-(1-cyanopropylamino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(1-cyanopropylamino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(1-cyanopropylamino)ethoxy]acetamide is CCC(C#N)NCCOCC(N)=O.
What is the InChIKey of 2-[2-(1-cyanopropylamino)ethoxy]acetamide?
The InChIKey is DKMQZCBFSQCZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-7(5-9)11-3-4-13-6-8(10)12/h7,11H,2-4,6H2,1H3,(H2,10,12).
What are the key properties of 2-[2-(1-cyanopropylamino)ethoxy]acetamide?
2-[2-(1-cyanopropylamino)ethoxy]acetamide has a molecular weight of 185.23 g/mol, XLogP of -0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyanopropylamino)ethoxy]acetamide is sourced from PubChem (CID 106237959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).