4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide

C13H23NO3 — CID 156733351

IUPAC4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide
SMILESC#CCOCCOCCNC(=O)CCC(C)C
InChIInChI=1S/C13H23NO3/c1-4-8-16-10-11-17-9-7-14-13(15)6-5-12(2)3/h1,12H,5-11H2,2-3H3,(H,14,15)
InChIKeyXJTMNHRVGHGQMJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.21
Rot. Bonds10

About 4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide

4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide (PubChem CID 156733351) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide
PubChem CID156733351
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide
SMILESC#CCOCCOCCNC(=O)CCC(C)C
InChIInChI=1S/C13H23NO3/c1-4-8-16-10-11-17-9-7-14-13(15)6-5-12(2)3/h1,12H,5-11H2,2-3H3,(H,14,15)
InChIKeyXJTMNHRVGHGQMJ-UHFFFAOYSA-N
XLogP1.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide
CID 176933394
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086
3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167313088
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 138710366
2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride
CID 138542496
N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]acetamide
CID 169450266
4-azido-N-(2-prop-2-ynoxyethyl)hexanamide
CID 91332449
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-oxo-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propan-2-yl]propanamide
CID 146673145
N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide
CID 170123968
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide?
The IUPAC name of 4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide (CID 156733351) is 4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide?
The canonical SMILES for 4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide is C#CCOCCOCCNC(=O)CCC(C)C.
What is the InChIKey of 4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide?
The InChIKey is XJTMNHRVGHGQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-8-16-10-11-17-9-7-14-13(15)6-5-12(2)3/h1,12H,5-11H2,2-3H3,(H,14,15).
What are the key properties of 4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide?
4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide has a molecular weight of 241.33 g/mol, XLogP of 1.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide is sourced from PubChem (CID 156733351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).