3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide

C10H17NO2 — CID 78925629

IUPAC3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide
SMILESC#CCN(CC)C(=O)CCOCC
InChIInChI=1S/C10H17NO2/c1-4-8-11(5-2)10(12)7-9-13-6-3/h1H,5-9H2,2-3H3
InChIKeyGJOCHUMDVDSBIJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.89
Rot. Bonds6

About 3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide

3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide (PubChem CID 78925629) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide
PubChem CID78925629
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide
SMILESC#CCN(CC)C(=O)CCOCC
InChIInChI=1S/C10H17NO2/c1-4-8-11(5-2)10(12)7-9-13-6-3/h1H,5-9H2,2-3H3
InChIKeyGJOCHUMDVDSBIJ-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
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-ethoxy-N-ethyl-N-prop-2-ynylacetamide
CID 78970728
4-ethoxy-N-propyl-N-prop-2-ynylbutanamide
CID 78970496
3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide
CID 78970322
2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 81056729
N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
CID 76946924
N-ethyl-N-prop-2-ynylcyclopropanecarboxamide
CID 78970835
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
N-(2-aminoethyl)-N-ethyl-3-propoxypropanamide
CID 62688574
N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide
CID 62589527
2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide
CID 78970690
2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970866
N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide
CID 78970730

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide?
The IUPAC name of 3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide (CID 78925629) is 3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide is C#CCN(CC)C(=O)CCOCC.
What is the InChIKey of 3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide?
The InChIKey is GJOCHUMDVDSBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-8-11(5-2)10(12)7-9-13-6-3/h1H,5-9H2,2-3H3.
What are the key properties of 3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide?
3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide has a molecular weight of 183.25 g/mol, XLogP of 0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 78925629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).