3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile

C11H20N2O2 — CID 64868653

IUPAC3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile
SMILESCCC(=O)C(C)N(CCC#N)CCOC
InChIInChI=1S/C11H20N2O2/c1-4-11(14)10(2)13(7-5-6-12)8-9-15-3/h10H,4-5,7-9H2,1-3H3
InChIKeyYPXQOTFOKWHIRW-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.22
Rot. Bonds8

About 3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile

3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile (PubChem CID 64868653) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile
PubChem CID64868653
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile
SMILESCCC(=O)C(C)N(CCC#N)CCOC
InChIInChI=1S/C11H20N2O2/c1-4-11(14)10(2)13(7-5-6-12)8-9-15-3/h10H,4-5,7-9H2,1-3H3
InChIKeyYPXQOTFOKWHIRW-UHFFFAOYSA-N
XLogP1.22
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile
CID 63285300
2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide
CID 63286664
3-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 63285381
3-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 63285129
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
2-[2-cyanoethyl(2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103224696
propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate
CID 63285599
N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
CID 62589868
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate
CID 63286662
N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide
CID 63286781

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile (CID 64868653) is 3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile is CCC(=O)C(C)N(CCC#N)CCOC.
What is the InChIKey of 3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile?
The InChIKey is YPXQOTFOKWHIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-11(14)10(2)13(7-5-6-12)8-9-15-3/h10H,4-5,7-9H2,1-3H3.
What are the key properties of 3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile?
3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile has a molecular weight of 212.29 g/mol, XLogP of 1.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile is sourced from PubChem (CID 64868653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).