N-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide

C11H14N2O2 — CID 170404033

IUPACN-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide
SMILESC#CCC(=O)N(C)CN(C)C(=O)CC#C
InChIInChI=1S/C11H14N2O2/c1-5-7-10(14)12(3)9-13(4)11(15)8-6-2/h1-2H,7-9H2,3-4H3
InChIKeyYXJVMVWANCKTMR-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.09
Rot. Bonds4

About N-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide

N-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide (PubChem CID 170404033) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide.

Molecular Properties

Compound NameN-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide
PubChem CID170404033
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide
SMILESC#CCC(=O)N(C)CN(C)C(=O)CC#C
InChIInChI=1S/C11H14N2O2/c1-5-7-10(14)12(3)9-13(4)11(15)8-6-2/h1-2H,7-9H2,3-4H3
InChIKeyYXJVMVWANCKTMR-UHFFFAOYSA-N
XLogP-0.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide?
The IUPAC name of N-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide (CID 170404033) is N-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide.
What is the SMILES notation for N-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide?
The canonical SMILES for N-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide is C#CCC(=O)N(C)CN(C)C(=O)CC#C.
What is the InChIKey of N-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide?
The InChIKey is YXJVMVWANCKTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-5-7-10(14)12(3)9-13(4)11(15)8-6-2/h1-2H,7-9H2,3-4H3.
What are the key properties of N-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide?
N-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide has a molecular weight of 206.24 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[but-3-ynoyl(methyl)amino]methyl]-N-methylbut-3-ynamide is sourced from PubChem (CID 170404033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).