N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide

C11H19NO2 — CID 115647124

IUPACN-hex-5-yn-3-yl-2-propan-2-yloxyacetamide
SMILESC#CCC(CC)NC(=O)COC(C)C
InChIInChI=1S/C11H19NO2/c1-5-7-10(6-2)12-11(13)8-14-9(3)4/h1,9-10H,6-8H2,2-4H3,(H,12,13)
InChIKeyBEABAPDJZCYNGD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds6

About N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide

N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide (PubChem CID 115647124) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-2-propan-2-yloxyacetamide
PubChem CID115647124
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-hex-5-yn-3-yl-2-propan-2-yloxyacetamide
SMILESC#CCC(CC)NC(=O)COC(C)C
InChIInChI=1S/C11H19NO2/c1-5-7-10(6-2)12-11(13)8-14-9(3)4/h1,9-10H,6-8H2,2-4H3,(H,12,13)
InChIKeyBEABAPDJZCYNGD-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
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-pent-4-yn-2-yl-2-propan-2-yloxyacetamide
CID 115661966
N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide
CID 103920021
N-hex-5-yn-3-yl-3-methylpentanamide
CID 114876499
(2S)-2-amino-N-[2-(hex-5-yn-3-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 113477462
(2S,3S)-2-amino-N-hex-5-yn-3-yl-3-methylpentanamide
CID 104864186
2-cyclopropyl-N-hex-5-yn-3-ylacetamide
CID 115647127
N-(3-ethylpentan-2-yl)-2-propan-2-yloxyacetamide
CID 112690212
ethane;N-propan-2-yl-2-propan-2-yloxyacetamide
CID 167679831
(3S)-3-(aminomethyl)-N-hex-5-yn-3-yl-5-methylhexanamide
CID 104864178
2-[2-(hex-5-yn-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 113477621
2,2,2-trifluoro-N-hex-5-yn-3-ylacetamide
CID 115647459
N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide
CID 112695628

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide?
The IUPAC name of N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide (CID 115647124) is N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide?
The canonical SMILES for N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide is C#CCC(CC)NC(=O)COC(C)C.
What is the InChIKey of N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide?
The InChIKey is BEABAPDJZCYNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-7-10(6-2)12-11(13)8-14-9(3)4/h1,9-10H,6-8H2,2-4H3,(H,12,13).
What are the key properties of N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide?
N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide has a molecular weight of 197.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 115647124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).