N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide

C9H17N3O3 — CID 60689523

IUPACN-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide
SMILESN#CCCNC(=O)CNCCOCCO
InChIInChI=1S/C9H17N3O3/c10-2-1-3-12-9(14)8-11-4-6-15-7-5-13/h11,13H,1,3-8H2,(H,12,14)
InChIKeyUJPNXXMUCSQTJG-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.39
Rot. Bonds9

About N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide

N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide (PubChem CID 60689523) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide
PubChem CID60689523
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide
SMILESN#CCCNC(=O)CNCCOCCO
InChIInChI=1S/C9H17N3O3/c10-2-1-3-12-9(14)8-11-4-6-15-7-5-13/h11,13H,1,3-8H2,(H,12,14)
InChIKeyUJPNXXMUCSQTJG-UHFFFAOYSA-N
XLogP-1.39
TPSA94.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide
CID 60975251
2-amino-N-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]acetamide
CID 61274286
N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60697915
N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62640317
3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 114167383
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
N-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
CID 106427808
N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide
CID 66185310
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide
CID 106309954
N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide
CID 43401906
2-(cyclopropylmethylamino)-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 106310701
N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
CID 114164681

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide (CID 60689523) is N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide is N#CCCNC(=O)CNCCOCCO.
What is the InChIKey of N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide?
The InChIKey is UJPNXXMUCSQTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-2-1-3-12-9(14)8-11-4-6-15-7-5-13/h11,13H,1,3-8H2,(H,12,14).
What are the key properties of N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide?
N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide has a molecular weight of 215.25 g/mol, XLogP of -1.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide is sourced from PubChem (CID 60689523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).