2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide

C11H17N3O2 — CID 63286666

IUPAC2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CCC#N)CCOC
InChIInChI=1S/C11H17N3O2/c1-3-6-13-11(15)10-14(7-4-5-12)8-9-16-2/h1H,4,6-10H2,2H3,(H,13,15)
InChIKeyWPLKLXHWHJHFEU-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.40
Rot. Bonds8

About 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide

2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide (PubChem CID 63286666) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide
PubChem CID63286666
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CCC#N)CCOC
InChIInChI=1S/C11H17N3O2/c1-3-6-13-11(15)10-14(7-4-5-12)8-9-16-2/h1H,4,6-10H2,2H3,(H,13,15)
InChIKeyWPLKLXHWHJHFEU-UHFFFAOYSA-N
XLogP-0.40
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 63286365
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60672925
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide
CID 112732359
propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate
CID 63285599
3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
CID 63286745
methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate
CID 63285080
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
CID 79167562
2-[bis(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78807325
1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 63285337
3-[[2-(4-iodophenyl)-2-oxoethyl]-(2-methoxyethyl)amino]propanenitrile
CID 63285257

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide (CID 63286666) is 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(CCC#N)CCOC.
What is the InChIKey of 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide?
The InChIKey is WPLKLXHWHJHFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-6-13-11(15)10-14(7-4-5-12)8-9-16-2/h1H,4,6-10H2,2H3,(H,13,15).
What are the key properties of 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide?
2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide has a molecular weight of 223.28 g/mol, XLogP of -0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 63286666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).