2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide

C13H21NO2 — CID 103270054

IUPAC2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide
SMILESC#CCCCNC(=O)CC1CC(OCC)C1
InChIInChI=1S/C13H21NO2/c1-3-5-6-7-14-13(15)10-11-8-12(9-11)16-4-2/h1,11-12H,4-10H2,2H3,(H,14,15)
InChIKeyVYGFLHJUDARBEI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds7

About 2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide

2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide (PubChem CID 103270054) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide
PubChem CID103270054
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide
SMILESC#CCCCNC(=O)CC1CC(OCC)C1
InChIInChI=1S/C13H21NO2/c1-3-5-6-7-14-13(15)10-11-8-12(9-11)16-4-2/h1,11-12H,4-10H2,2H3,(H,14,15)
InChIKeyVYGFLHJUDARBEI-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383
5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid
CID 103161944
N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307815
N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166301
N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307941
2-cyclohexyl-N-pent-4-ynylacetamide
CID 103709024
N-(5-amino-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 106153157
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114147988
4-ethoxy-N-pent-4-ynylbutanamide
CID 103708929
2-(3-ethoxycyclobutyl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide
CID 103164863
N-but-3-ynyl-2-cyclobutylacetamide
CID 103707500

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide (CID 103270054) is 2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide is C#CCCCNC(=O)CC1CC(OCC)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide?
The InChIKey is VYGFLHJUDARBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-5-6-7-14-13(15)10-11-8-12(9-11)16-4-2/h1,11-12H,4-10H2,2H3,(H,14,15).
What are the key properties of 2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide?
2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide has a molecular weight of 223.32 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide is sourced from PubChem (CID 103270054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).