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

C10H16N2O2 — CID 14025464

IUPACN-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide
SMILESCC(=O)N(CC#CCN(C)C)C(C)=O
InChIInChI=1S/C10H16N2O2/c1-9(13)12(10(2)14)8-6-5-7-11(3)4/h7-8H2,1-4H3
InChIKeyWXPYSTCSWHWQCS-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.05
Rot. Bonds2

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

N-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide (PubChem CID 14025464) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide
PubChem CID14025464
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide
SMILESCC(=O)N(CC#CCN(C)C)C(C)=O
InChIInChI=1S/C10H16N2O2/c1-9(13)12(10(2)14)8-6-5-7-11(3)4/h7-8H2,1-4H3
InChIKeyWXPYSTCSWHWQCS-UHFFFAOYSA-N
XLogP-0.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide?
The IUPAC name of N-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide (CID 14025464) is N-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide?
The canonical SMILES for N-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide is CC(=O)N(CC#CCN(C)C)C(C)=O.
What is the InChIKey of N-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide?
The InChIKey is WXPYSTCSWHWQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-9(13)12(10(2)14)8-6-5-7-11(3)4/h7-8H2,1-4H3.
What are the key properties of N-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide?
N-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide has a molecular weight of 196.25 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-(dimethylamino)but-2-ynyl]acetamide is sourced from PubChem (CID 14025464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).