3-ethoxy-N-pent-3-ynylpropanamide

C10H17NO2 — CID 115977143

IUPAC3-ethoxy-N-pent-3-ynylpropanamide
SMILESCC#CCCNC(=O)CCOCC
InChIInChI=1S/C10H17NO2/c1-3-5-6-8-11-10(12)7-9-13-4-2/h4,6-9H2,1-2H3,(H,11,12)
InChIKeyNBQSTSJLCBDBTB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds6

About 3-ethoxy-N-pent-3-ynylpropanamide

3-ethoxy-N-pent-3-ynylpropanamide (PubChem CID 115977143) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-ethoxy-N-pent-3-ynylpropanamide.

Molecular Properties

Compound Name3-ethoxy-N-pent-3-ynylpropanamide
PubChem CID115977143
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-ethoxy-N-pent-3-ynylpropanamide
SMILESCC#CCCNC(=O)CCOCC
InChIInChI=1S/C10H17NO2/c1-3-5-6-8-11-10(12)7-9-13-4-2/h4,6-9H2,1-2H3,(H,11,12)
InChIKeyNBQSTSJLCBDBTB-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

ethyl 4-oxo-4-(pent-3-ynylamino)butanoate
CID 104581218
4-methoxy-N-pent-3-ynylbutanamide
CID 115977312
3-ethoxy-N-ethylpropanamide
CID 58030283
2-chloro-N-pent-3-ynylacetamide
CID 116643290
tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate
CID 155275245
ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
CID 142390095
N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide
CID 10993436
2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate
CID 175835823
4-ethoxy-N-pent-4-ynylbutanamide
CID 103708929
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568
N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103951564
3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide
CID 58340951

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-pent-3-ynylpropanamide?
The IUPAC name of 3-ethoxy-N-pent-3-ynylpropanamide (CID 115977143) is 3-ethoxy-N-pent-3-ynylpropanamide.
What is the SMILES notation for 3-ethoxy-N-pent-3-ynylpropanamide?
The canonical SMILES for 3-ethoxy-N-pent-3-ynylpropanamide is CC#CCCNC(=O)CCOCC.
What is the InChIKey of 3-ethoxy-N-pent-3-ynylpropanamide?
The InChIKey is NBQSTSJLCBDBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-5-6-8-11-10(12)7-9-13-4-2/h4,6-9H2,1-2H3,(H,11,12).
What are the key properties of 3-ethoxy-N-pent-3-ynylpropanamide?
3-ethoxy-N-pent-3-ynylpropanamide 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-3-ynylpropanamide is sourced from PubChem (CID 115977143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).