N-(2-but-3-enoxyethyl)acetamide

C8H15NO2 — CID 103855663

IUPACN-(2-but-3-enoxyethyl)acetamide
SMILESC=CCCOCCNC(C)=O
InChIInChI=1S/C8H15NO2/c1-3-4-6-11-7-5-9-8(2)10/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyAALAZCKPWGHKOM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds6

About N-(2-but-3-enoxyethyl)acetamide

N-(2-but-3-enoxyethyl)acetamide (PubChem CID 103855663) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)acetamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)acetamide
PubChem CID103855663
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(2-but-3-enoxyethyl)acetamide
SMILESC=CCCOCCNC(C)=O
InChIInChI=1S/C8H15NO2/c1-3-4-6-11-7-5-9-8(2)10/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyAALAZCKPWGHKOM-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)acetamide?
The IUPAC name of N-(2-but-3-enoxyethyl)acetamide (CID 103855663) is N-(2-but-3-enoxyethyl)acetamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)acetamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)acetamide is C=CCCOCCNC(C)=O.
What is the InChIKey of N-(2-but-3-enoxyethyl)acetamide?
The InChIKey is AALAZCKPWGHKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-6-11-7-5-9-8(2)10/h3H,1,4-7H2,2H3,(H,9,10).
What are the key properties of N-(2-but-3-enoxyethyl)acetamide?
N-(2-but-3-enoxyethyl)acetamide has a molecular weight of 157.21 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)acetamide is sourced from PubChem (CID 103855663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).