N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide

C10H17NO3 — CID 103338945

IUPACN-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
SMILESC=CCN(CCOC)C(=O)CC(C)=O
InChIInChI=1S/C10H17NO3/c1-4-5-11(6-7-14-3)10(13)8-9(2)12/h4H,1,5-8H2,2-3H3
InChIKeyJRGGJFRJHVEFPD-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.63
Rot. Bonds7

About N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide

N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide (PubChem CID 103338945) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
PubChem CID103338945
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
SMILESC=CCN(CCOC)C(=O)CC(C)=O
InChIInChI=1S/C10H17NO3/c1-4-5-11(6-7-14-3)10(13)8-9(2)12/h4H,1,5-8H2,2-3H3
InChIKeyJRGGJFRJHVEFPD-UHFFFAOYSA-N
XLogP0.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338694
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580
5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
CID 107910751
3-amino-N-(2-methoxyethyl)-3-methyl-N-prop-2-enylbutanamide
CID 103338897
3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea
CID 103338592
5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 103338494
2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103516152
3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide
CID 103338776
2-amino-N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 103338789
N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-prop-2-enylpropanamide
CID 103338873
4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid
CID 103339539
2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338978

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide?
The IUPAC name of N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide (CID 103338945) is N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide is C=CCN(CCOC)C(=O)CC(C)=O.
What is the InChIKey of N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide?
The InChIKey is JRGGJFRJHVEFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-5-11(6-7-14-3)10(13)8-9(2)12/h4H,1,5-8H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide?
N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide has a molecular weight of 199.25 g/mol, XLogP of 0.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide is sourced from PubChem (CID 103338945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).