N-but-2-enyl-2-methoxyacetamide

C7H13NO2 — CID 72618261

IUPACN-but-2-enyl-2-methoxyacetamide
SMILESCC=CCNC(=O)COC
InChIInChI=1S/C7H13NO2/c1-3-4-5-8-7(9)6-10-2/h3-4H,5-6H2,1-2H3,(H,8,9)
InChIKeyCMSJASIOIMSTRT-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.33
Rot. Bonds4

About N-but-2-enyl-2-methoxyacetamide

N-but-2-enyl-2-methoxyacetamide (PubChem CID 72618261) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-but-2-enyl-2-methoxyacetamide.

Molecular Properties

Compound NameN-but-2-enyl-2-methoxyacetamide
PubChem CID72618261
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-but-2-enyl-2-methoxyacetamide
SMILESCC=CCNC(=O)COC
InChIInChI=1S/C7H13NO2/c1-3-4-5-8-7(9)6-10-2/h3-4H,5-6H2,1-2H3,(H,8,9)
InChIKeyCMSJASIOIMSTRT-UHFFFAOYSA-N
XLogP0.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)acrylamide
CID 11976962
2-(fluoromethoxy)-N-prop-2-enylacetamide
CID 88551604
CID 166107318
CID 166107318
N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide
CID 170368251
Acetic acid, 2-oxo-2-(2-propen-1-ylamino)-, ethyl ester
CID 6420265
1,4-Oxazepin-3(4h)-one
CID 129840273
N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209728
Oxalic acid, monoamide, N-allyl-, propyl ester
CID 6420266
N-Allyl-2-methoxy-acetamide
CID 11355489
N-but-3-enyl-2-propoxyacetamide
CID 17780693
2-ethoxy-N-prop-2-enylacetamide
CID 17780821
N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523754

Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-2-methoxyacetamide?
The IUPAC name of N-but-2-enyl-2-methoxyacetamide (CID 72618261) is N-but-2-enyl-2-methoxyacetamide.
What is the SMILES notation for N-but-2-enyl-2-methoxyacetamide?
The canonical SMILES for N-but-2-enyl-2-methoxyacetamide is CC=CCNC(=O)COC.
What is the InChIKey of N-but-2-enyl-2-methoxyacetamide?
The InChIKey is CMSJASIOIMSTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-5-8-7(9)6-10-2/h3-4H,5-6H2,1-2H3,(H,8,9).
What are the key properties of N-but-2-enyl-2-methoxyacetamide?
N-but-2-enyl-2-methoxyacetamide has a molecular weight of 143.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-2-methoxyacetamide is sourced from PubChem (CID 72618261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).