N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide

C11H18N2O2 — CID 14025467

IUPACN-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide
SMILESCC(=O)N(C(C)=O)C(C)C#CCN(C)C
InChIInChI=1S/C11H18N2O2/c1-9(7-6-8-12(4)5)13(10(2)14)11(3)15/h9H,8H2,1-5H3
InChIKeyFKKDBBFXPOZWOA-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.33
Rot. Bonds2

About N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide

N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide (PubChem CID 14025467) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide
PubChem CID14025467
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide
SMILESCC(=O)N(C(C)=O)C(C)C#CCN(C)C
InChIInChI=1S/C11H18N2O2/c1-9(7-6-8-12(4)5)13(10(2)14)11(3)15/h9H,8H2,1-5H3
InChIKeyFKKDBBFXPOZWOA-UHFFFAOYSA-N
XLogP0.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[cyano(ethyl)amino]pent-3-yn-2-yl]-N-methylacetamide
CID 19902309
7-(dimethylamino)-3-methylhept-5-yn-2-one
CID 15685978
5-(dimethylamino)pent-3-yn-2-one
CID 129178345
4-(dimethylamino)but-2-ynoic acid lithium hydride
CID 171035063
5-(dimethylamino)pent-3-ynoic acid
CID 105428205
4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]but-2-ynamide
CID 130978657
11-methyl-10-oxododecanal;N,N,4-trimethylpent-2-yn-1-amine
CID 170584255
4,4-diethoxy-N,N-dimethylbut-2-yn-1-amine
CID 13066054
N-acetyl-N-(1-aminopropan-2-yl)acetamide
CID 71330425
N,N-dimethylethanamine;2-methylpropane
CID 145274023
methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine
CID 167567931
5-[ethyl(methyl)amino]pent-3-yn-2-yl N-methylcarbamate
CID 88525329

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide?
The IUPAC name of N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide (CID 14025467) is N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide?
The canonical SMILES for N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide is CC(=O)N(C(C)=O)C(C)C#CCN(C)C.
What is the InChIKey of N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide?
The InChIKey is FKKDBBFXPOZWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(7-6-8-12(4)5)13(10(2)14)11(3)15/h9H,8H2,1-5H3.
What are the key properties of N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide?
N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide has a molecular weight of 210.28 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide is sourced from PubChem (CID 14025467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).