N-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide

C12H20N2O2 — CID 14025463

IUPACN-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide
SMILESCCN(CC)CC#CCN(C(C)=O)C(C)=O
InChIInChI=1S/C12H20N2O2/c1-5-13(6-2)9-7-8-10-14(11(3)15)12(4)16/h5-6,9-10H2,1-4H3
InChIKeyVQAULZGCVGSZBE-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.73
Rot. Bonds4

About N-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide

N-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide (PubChem CID 14025463) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide
PubChem CID14025463
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide
SMILESCCN(CC)CC#CCN(C(C)=O)C(C)=O
InChIInChI=1S/C12H20N2O2/c1-5-13(6-2)9-7-8-10-14(11(3)15)12(4)16/h5-6,9-10H2,1-4H3
InChIKeyVQAULZGCVGSZBE-UHFFFAOYSA-N
XLogP0.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide?
The IUPAC name of N-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide (CID 14025463) is N-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide?
The canonical SMILES for N-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide is CCN(CC)CC#CCN(C(C)=O)C(C)=O.
What is the InChIKey of N-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide?
The InChIKey is VQAULZGCVGSZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-13(6-2)9-7-8-10-14(11(3)15)12(4)16/h5-6,9-10H2,1-4H3.
What are the key properties of N-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide?
N-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide has a molecular weight of 224.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-(diethylamino)but-2-ynyl]acetamide is sourced from PubChem (CID 14025463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).