2-acetamido-3-prop-2-ynoxypropanamide

C8H12N2O3 — CID 91156082

IUPAC2-acetamido-3-prop-2-ynoxypropanamide
SMILESC#CCOCC(NC(C)=O)C(N)=O
InChIInChI=1S/C8H12N2O3/c1-3-4-13-5-7(8(9)12)10-6(2)11/h1,7H,4-5H2,2H3,(H2,9,12)(H,10,11)
InChIKeyAVCKNUGASISIBM-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.37
Rot. Bonds5

About 2-acetamido-3-prop-2-ynoxypropanamide

2-acetamido-3-prop-2-ynoxypropanamide (PubChem CID 91156082) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-acetamido-3-prop-2-ynoxypropanamide.

Molecular Properties

Compound Name2-acetamido-3-prop-2-ynoxypropanamide
PubChem CID91156082
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-acetamido-3-prop-2-ynoxypropanamide
SMILESC#CCOCC(NC(C)=O)C(N)=O
InChIInChI=1S/C8H12N2O3/c1-3-4-13-5-7(8(9)12)10-6(2)11/h1,7H,4-5H2,2H3,(H2,9,12)(H,10,11)
InChIKeyAVCKNUGASISIBM-UHFFFAOYSA-N
XLogP-1.37
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-prop-2-ynoxypropanamide?
The IUPAC name of 2-acetamido-3-prop-2-ynoxypropanamide (CID 91156082) is 2-acetamido-3-prop-2-ynoxypropanamide.
What is the SMILES notation for 2-acetamido-3-prop-2-ynoxypropanamide?
The canonical SMILES for 2-acetamido-3-prop-2-ynoxypropanamide is C#CCOCC(NC(C)=O)C(N)=O.
What is the InChIKey of 2-acetamido-3-prop-2-ynoxypropanamide?
The InChIKey is AVCKNUGASISIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-4-13-5-7(8(9)12)10-6(2)11/h1,7H,4-5H2,2H3,(H2,9,12)(H,10,11).
What are the key properties of 2-acetamido-3-prop-2-ynoxypropanamide?
2-acetamido-3-prop-2-ynoxypropanamide has a molecular weight of 184.19 g/mol, XLogP of -1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-prop-2-ynoxypropanamide is sourced from PubChem (CID 91156082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).