2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide

C11H20N2O — CID 114416749

IUPAC2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide
SMILESC#CC(C)NCC(=O)NC(C)CCC
InChIInChI=1S/C11H20N2O/c1-5-7-10(4)13-11(14)8-12-9(3)6-2/h2,9-10,12H,5,7-8H2,1,3-4H3,(H,13,14)
InChIKeyOBUHFAHXBYFUAL-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.90
Rot. Bonds6

About 2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide

2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide (PubChem CID 114416749) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide
PubChem CID114416749
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide
SMILESC#CC(C)NCC(=O)NC(C)CCC
InChIInChI=1S/C11H20N2O/c1-5-7-10(4)13-11(14)8-12-9(3)6-2/h2,9-10,12H,5,7-8H2,1,3-4H3,(H,13,14)
InChIKeyOBUHFAHXBYFUAL-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
2-[[(2S)-but-3-yn-2-yl]amino]acetic acid
CID 135221499
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide
CID 104891892
2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide
CID 54963536
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332
2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide
CID 60693789
N-pentan-2-yl-2-(1-phenylethylamino)acetamide
CID 60684136
N-but-3-yn-2-ylhexanamide
CID 114389654
N-ethyl-2-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]acetamide
CID 60695403
2-(1-cyclohexylethylamino)-N-pentan-2-ylacetamide
CID 62406812
2-bromo-N-pentan-2-ylacetamide
CID 54179178
N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide
CID 60693847

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide (CID 114416749) is 2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide is C#CC(C)NCC(=O)NC(C)CCC.
What is the InChIKey of 2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide?
The InChIKey is OBUHFAHXBYFUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-7-10(4)13-11(14)8-12-9(3)6-2/h2,9-10,12H,5,7-8H2,1,3-4H3,(H,13,14).
What are the key properties of 2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide?
2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide has a molecular weight of 196.29 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide is sourced from PubChem (CID 114416749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).