3-ethoxy-N-pent-1-yn-3-ylpropanamide

C10H17NO2 — CID 103579230

IUPAC3-ethoxy-N-pent-1-yn-3-ylpropanamide
SMILESC#CC(CC)NC(=O)CCOCC
InChIInChI=1S/C10H17NO2/c1-4-9(5-2)11-10(12)7-8-13-6-3/h1,9H,5-8H2,2-3H3,(H,11,12)
InChIKeyOVHLBSIQUDSMFC-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds6

About 3-ethoxy-N-pent-1-yn-3-ylpropanamide

3-ethoxy-N-pent-1-yn-3-ylpropanamide (PubChem CID 103579230) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-ethoxy-N-pent-1-yn-3-ylpropanamide.

Molecular Properties

Compound Name3-ethoxy-N-pent-1-yn-3-ylpropanamide
PubChem CID103579230
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-ethoxy-N-pent-1-yn-3-ylpropanamide
SMILESC#CC(CC)NC(=O)CCOCC
InChIInChI=1S/C10H17NO2/c1-4-9(5-2)11-10(12)7-8-13-6-3/h1,9H,5-8H2,2-3H3,(H,11,12)
InChIKeyOVHLBSIQUDSMFC-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-pent-1-yn-3-ylacetamide
CID 106230235
6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide
CID 106230416
4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide
CID 103578918
3,3-dimethyl-N-pent-1-yn-3-ylbutanamide
CID 103578952
3-amino-N-pent-1-yn-3-ylbutanamide
CID 106230437
(2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid
CID 80750602
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
CID 112728067
2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide
CID 106230441
2-(3-ethoxypropanoylamino)-3-methoxypropanoic acid
CID 81076376
3-ethoxy-N-ethylpropanamide
CID 58030283
N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide
CID 95286665

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-pent-1-yn-3-ylpropanamide?
The IUPAC name of 3-ethoxy-N-pent-1-yn-3-ylpropanamide (CID 103579230) is 3-ethoxy-N-pent-1-yn-3-ylpropanamide.
What is the SMILES notation for 3-ethoxy-N-pent-1-yn-3-ylpropanamide?
The canonical SMILES for 3-ethoxy-N-pent-1-yn-3-ylpropanamide is C#CC(CC)NC(=O)CCOCC.
What is the InChIKey of 3-ethoxy-N-pent-1-yn-3-ylpropanamide?
The InChIKey is OVHLBSIQUDSMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-9(5-2)11-10(12)7-8-13-6-3/h1,9H,5-8H2,2-3H3,(H,11,12).
What are the key properties of 3-ethoxy-N-pent-1-yn-3-ylpropanamide?
3-ethoxy-N-pent-1-yn-3-ylpropanamide has a molecular weight of 183.25 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-pent-1-yn-3-ylpropanamide is sourced from PubChem (CID 103579230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).