2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide

C11H20N2O — CID 115662005

IUPAC2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide
SMILESC#CCC(C)NC(=O)CNC(C)(C)C
InChIInChI=1S/C11H20N2O/c1-6-7-9(2)13-10(14)8-12-11(3,4)5/h1,9,12H,7-8H2,2-5H3,(H,13,14)
InChIKeyWZTBMQJMHWYZSK-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.90
Rot. Bonds4

About 2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide

2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide (PubChem CID 115662005) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide
PubChem CID115662005
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide
SMILESC#CCC(C)NC(=O)CNC(C)(C)C
InChIInChI=1S/C11H20N2O/c1-6-7-9(2)13-10(14)8-12-11(3,4)5/h1,9,12H,7-8H2,2-5H3,(H,13,14)
InChIKeyWZTBMQJMHWYZSK-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-(tert-butylamino)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 107218468
N-pent-4-yn-2-ylpropanamide
CID 115661827
2-(tert-butylamino)-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 115637118
2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide
CID 78986835
N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide
CID 115661966
2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide
CID 115665144
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
CID 115662074
N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine
CID 107446123
N-pent-4-yn-2-ylcyclopentanecarboxamide
CID 115661776
2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
CID 113245290
N-pent-4-yn-2-ylcyclopent-3-ene-1-carboxamide
CID 115661767
N-pent-4-yn-2-yl-4-phenylbutanamide
CID 115661905

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide?
The IUPAC name of 2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide (CID 115662005) is 2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide?
The canonical SMILES for 2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide is C#CCC(C)NC(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide?
The InChIKey is WZTBMQJMHWYZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-6-7-9(2)13-10(14)8-12-11(3,4)5/h1,9,12H,7-8H2,2-5H3,(H,13,14).
What are the key properties of 2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide?
2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide has a molecular weight of 196.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide is sourced from PubChem (CID 115662005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).