N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide

C10H17NO2 — CID 115661966

IUPACN-pent-4-yn-2-yl-2-propan-2-yloxyacetamide
SMILESC#CCC(C)NC(=O)COC(C)C
InChIInChI=1S/C10H17NO2/c1-5-6-9(4)11-10(12)7-13-8(2)3/h1,8-9H,6-7H2,2-4H3,(H,11,12)
InChIKeyQNRORVIDFGFODT-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds5

About N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide

N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide (PubChem CID 115661966) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-pent-4-yn-2-yl-2-propan-2-yloxyacetamide
PubChem CID115661966
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-pent-4-yn-2-yl-2-propan-2-yloxyacetamide
SMILESC#CCC(C)NC(=O)COC(C)C
InChIInChI=1S/C10H17NO2/c1-5-6-9(4)11-10(12)7-13-8(2)3/h1,8-9H,6-7H2,2-4H3,(H,11,12)
InChIKeyQNRORVIDFGFODT-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
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

N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide
CID 115647124
N-pent-4-yn-2-ylpropanamide
CID 115661827
N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide
CID 112604224
N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide
CID 112604192
ethane;N-propan-2-yl-2-propan-2-yloxyacetamide
CID 167679831
N-pent-4-en-2-yl-2-propan-2-yloxyacetamide
CID 115631361
N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide
CID 112695628
2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide
CID 115661987
2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide
CID 115662005
N-(3,3-dimethylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 115622733
N-pent-4-yn-2-ylcyclopentanecarboxamide
CID 115661776
3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid
CID 20799020

Frequently Asked Questions

What is the IUPAC name of N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide?
The IUPAC name of N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide (CID 115661966) is N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide?
The canonical SMILES for N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide is C#CCC(C)NC(=O)COC(C)C.
What is the InChIKey of N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide?
The InChIKey is QNRORVIDFGFODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-6-9(4)11-10(12)7-13-8(2)3/h1,8-9H,6-7H2,2-4H3,(H,11,12).
What are the key properties of N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide?
N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide has a molecular weight of 183.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 115661966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).