2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide

C10H16N2O2 — CID 43289819

IUPAC2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide
SMILESC=CCCOCC(=O)N(C)CCC#N
InChIInChI=1S/C10H16N2O2/c1-3-4-8-14-9-10(13)12(2)7-5-6-11/h3H,1,4-5,7-9H2,2H3
InChIKeyQDYFLOMKIRTCDN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.95
Rot. Bonds7

About 2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide

2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 43289819) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID43289819
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide
SMILESC=CCCOCC(=O)N(C)CCC#N
InChIInChI=1S/C10H16N2O2/c1-3-4-8-14-9-10(13)12(2)7-5-6-11/h3H,1,4-5,7-9H2,2H3
InChIKeyQDYFLOMKIRTCDN-UHFFFAOYSA-N
XLogP0.95
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N-ethyl-N-prop-2-enylacetamide
CID 166930748
N-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide
CID 43289801
2-but-2-enoxy-N-(2-cyanoethyl)-N-methylacetamide
CID 76938115
N-(2-cyanoethyl)-N-methyl-2-pent-4-enoxyacetamide
CID 79114381
2-ethoxy-N-prop-2-enyl-N-propylacetamide
CID 81818438
2-but-3-enoxy-N-(2-cyanopropyl)-N-ethylpropanamide
CID 86850130
(2R)-2-but-3-enoxy-N-[(2R)-2-cyanopropyl]-N-ethylpropanamide
CID 99615428
(2R)-2-but-3-enoxy-N-[(2S)-2-cyanopropyl]-N-ethylpropanamide
CID 99615429
(2S)-2-but-3-enoxy-N-[(2R)-2-cyanopropyl]-N-ethylpropanamide
CID 99615430
(2S)-2-but-3-enoxy-N-[(2S)-2-cyanopropyl]-N-ethylpropanamide
CID 99615431
N-prop-2-enyl-2-propoxy-N-propylacetamide
CID 107941762
N-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide
CID 114470219

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide (CID 43289819) is 2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide is C=CCCOCC(=O)N(C)CCC#N.
What is the InChIKey of 2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is QDYFLOMKIRTCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-4-8-14-9-10(13)12(2)7-5-6-11/h3H,1,4-5,7-9H2,2H3.
What are the key properties of 2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide?
2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 196.25 g/mol, XLogP of 0.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 43289819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).