2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide

C15H21NO2 — CID 115627833

IUPAC2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide
SMILESC/C=C/CCNC(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C15H21NO2/c1-4-5-6-11-16-15(17)13(3)18-14-9-7-12(2)8-10-14/h4-5,7-10,13H,6,11H2,1-3H3,(H,16,17)/b5-4+
InChIKeyGPYYNKXFFDGMMM-SNAWJCMRSA-N
MW247.34 g/mol
LogP2.84
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide

2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide (PubChem CID 115627833) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide
PubChem CID115627833
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide
SMILESC/C=C/CCNC(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C15H21NO2/c1-4-5-6-11-16-15(17)13(3)18-14-9-7-12(2)8-10-14/h4-5,7-10,13H,6,11H2,1-3H3,(H,16,17)/b5-4+
InChIKeyGPYYNKXFFDGMMM-SNAWJCMRSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.84
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

2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide
CID 113236396
4-[2-(4-methylphenoxy)propanoylamino]butanamide
CID 56812745
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119407044
2-(4-methylphenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114534
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
CID 133240246
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933
(2S)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173169

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide (CID 115627833) is 2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide is C/C=C/CCNC(=O)C(C)Oc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide?
The InChIKey is GPYYNKXFFDGMMM-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-5-6-11-16-15(17)13(3)18-14-9-7-12(2)8-10-14/h4-5,7-10,13H,6,11H2,1-3H3,(H,16,17)/b5-4+.
What are the key properties of 2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide?
2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide has a molecular weight of 247.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide is sourced from PubChem (CID 115627833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).