N-(4-(diethylamino)but-2-yn-1-yl)acetamide

C10H18N2O — CID 15065520

IUPACN-[4-(diethylamino)but-2-ynyl]acetamide
SMILESCCN(CC)CC#CCNC(=O)C
InChIInChI=1S/C10H18N2O/c1-4-12(5-2)9-7-6-8-11-10(3)13/h4-5,8-9H2,1-3H3,(H,11,13)
InChIKeyFXNGQHRPTQENOP-UHFFFAOYSA-N
MW182.26 g/mol
LogP0.40
Rot. Bonds4

About N-(4-(diethylamino)but-2-yn-1-yl)acetamide

N-(4-(diethylamino)but-2-yn-1-yl)acetamide (PubChem CID 15065520) has the molecular formula C10H18N2O and a molecular weight of 182.26 g/mol. Its IUPAC name is N-[4-(diethylamino)but-2-ynyl]acetamide.

Molecular Properties

Compound NameN-(4-(diethylamino)but-2-yn-1-yl)acetamide
PubChem CID15065520
Molecular FormulaC10H18N2O
Molecular Weight182.26 g/mol
Exact Mass182.14
IUPAC NameN-[4-(diethylamino)but-2-ynyl]acetamide
SMILESCCN(CC)CC#CCNC(=O)C
InChIInChI=1S/C10H18N2O/c1-4-12(5-2)9-7-6-8-11-10(3)13/h4-5,8-9H2,1-3H3,(H,11,13)
InChIKeyFXNGQHRPTQENOP-UHFFFAOYSA-N
XLogP0.40
TPSA32.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity207

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N8-Acetylspermidine
CID 123689
N1-Acetylspermidine
CID 496
N-(4-Dimethylamino-but-2-ynyl)-N-methyl-acetamide
CID 19718
Acetamidopropyl trimonium chloride
CID 57483053
Ammonium, (2-acetamidoethyl)triethyl-, iodide
CID 40661
Acetamide, N-(2-diethylaminoethyl)-
CID 44428
N(1)-acetylspermidinium(2+)
CID 25203502
N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide
CID 10176991
Spermidine, N,N',N''-triacetyl-
CID 14365608
Propanamide, N-(2-(diethylamino)ethyl)-
CID 3047315
N(1)-Acetylnorspermidine
CID 129852
Propanamide, N-(3-(dimethylamino)propyl)-
CID 104430

Frequently Asked Questions

What is the IUPAC name of N-(4-(diethylamino)but-2-yn-1-yl)acetamide?
The IUPAC name of N-(4-(diethylamino)but-2-yn-1-yl)acetamide (CID 15065520) is N-[4-(diethylamino)but-2-ynyl]acetamide.
What is the SMILES notation for N-(4-(diethylamino)but-2-yn-1-yl)acetamide?
The canonical SMILES for N-(4-(diethylamino)but-2-yn-1-yl)acetamide is CCN(CC)CC#CCNC(=O)C.
What is the InChIKey of N-(4-(diethylamino)but-2-yn-1-yl)acetamide?
The InChIKey is FXNGQHRPTQENOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-12(5-2)9-7-6-8-11-10(3)13/h4-5,8-9H2,1-3H3,(H,11,13).
What are the key properties of N-(4-(diethylamino)but-2-yn-1-yl)acetamide?
N-(4-(diethylamino)but-2-yn-1-yl)acetamide has a molecular weight of 182.26 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-(diethylamino)but-2-yn-1-yl)acetamide is sourced from PubChem (CID 15065520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).