4-ethoxy-N-propyl-N-prop-2-ynylbutanamide

C12H21NO2 — CID 78970496

IUPAC4-ethoxy-N-propyl-N-prop-2-ynylbutanamide
SMILESC#CCN(CCC)C(=O)CCCOCC
InChIInChI=1S/C12H21NO2/c1-4-9-13(10-5-2)12(14)8-7-11-15-6-3/h1H,5-11H2,2-3H3
InChIKeyPWOKVIDJPKNAPL-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.67
Rot. Bonds8

About 4-ethoxy-N-propyl-N-prop-2-ynylbutanamide

4-ethoxy-N-propyl-N-prop-2-ynylbutanamide (PubChem CID 78970496) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-ethoxy-N-propyl-N-prop-2-ynylbutanamide.

Molecular Properties

Compound Name4-ethoxy-N-propyl-N-prop-2-ynylbutanamide
PubChem CID78970496
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-ethoxy-N-propyl-N-prop-2-ynylbutanamide
SMILESC#CCN(CCC)C(=O)CCCOCC
InChIInChI=1S/C12H21NO2/c1-4-9-13(10-5-2)12(14)8-7-11-15-6-3/h1H,5-11H2,2-3H3
InChIKeyPWOKVIDJPKNAPL-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.67
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

3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide
CID 78925629
N,N-bis(2-ethoxyethyl)dodecanamide
CID 87526086
1-ethoxyoct-7-yn-4-one
CID 105100778
N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 112729251
N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide
CID 78927188
N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide
CID 115761109
2-ethoxy-N-ethyl-N-prop-2-ynylacetamide
CID 78970728
1-butyl-1-prop-2-ynylurea
CID 54279536
2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 81056729
N-(cyanomethyl)-4-ethoxy-N-methylbutanamide
CID 78915918
3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide
CID 78952265
N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide
CID 78970605

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-propyl-N-prop-2-ynylbutanamide?
The IUPAC name of 4-ethoxy-N-propyl-N-prop-2-ynylbutanamide (CID 78970496) is 4-ethoxy-N-propyl-N-prop-2-ynylbutanamide.
What is the SMILES notation for 4-ethoxy-N-propyl-N-prop-2-ynylbutanamide?
The canonical SMILES for 4-ethoxy-N-propyl-N-prop-2-ynylbutanamide is C#CCN(CCC)C(=O)CCCOCC.
What is the InChIKey of 4-ethoxy-N-propyl-N-prop-2-ynylbutanamide?
The InChIKey is PWOKVIDJPKNAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-9-13(10-5-2)12(14)8-7-11-15-6-3/h1H,5-11H2,2-3H3.
What are the key properties of 4-ethoxy-N-propyl-N-prop-2-ynylbutanamide?
4-ethoxy-N-propyl-N-prop-2-ynylbutanamide has a molecular weight of 211.30 g/mol, XLogP of 1.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-propyl-N-prop-2-ynylbutanamide is sourced from PubChem (CID 78970496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).