N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide

C14H27NO2 — CID 115761081

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
SMILESC=C(C)COCCNC(=O)C(CCC)CCC
InChIInChI=1S/C14H27NO2/c1-5-7-13(8-6-2)14(16)15-9-10-17-11-12(3)4/h13H,3,5-11H2,1-2,4H3,(H,15,16)
InChIKeyKMXBLTLIJHHQRH-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.91
Rot. Bonds10

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide

N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide (PubChem CID 115761081) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
PubChem CID115761081
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
SMILESC=C(C)COCCNC(=O)C(CCC)CCC
InChIInChI=1S/C14H27NO2/c1-5-7-13(8-6-2)14(16)15-9-10-17-11-12(3)4/h13H,3,5-11H2,1-2,4H3,(H,15,16)
InChIKeyKMXBLTLIJHHQRH-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 104929437
N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine
CID 115893998
methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate
CID 114469599
4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 114469554
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 104929441
N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
CID 114469847
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 170008061
2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 113258390
2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466208
2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide
CID 114467608
2-(ethylamino)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467973

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide (CID 115761081) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide is C=C(C)COCCNC(=O)C(CCC)CCC.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide?
The InChIKey is KMXBLTLIJHHQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-7-13(8-6-2)14(16)15-9-10-17-11-12(3)4/h13H,3,5-11H2,1-2,4H3,(H,15,16).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide has a molecular weight of 241.37 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide is sourced from PubChem (CID 115761081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).