4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide

C17H23NO2 — CID 67554506

IUPAC4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide
SMILESC=CCOc1cccc(C(C)(CCC(N)=O)C2CC2)c1
InChIInChI=1S/C17H23NO2/c1-3-11-20-15-6-4-5-14(12-15)17(2,13-7-8-13)10-9-16(18)19/h3-6,12-13H,1,7-11H2,2H3,(H2,18,19)
InChIKeyJQOOPWMOOHOOFW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.18
Rot. Bonds8

About 4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide

4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide (PubChem CID 67554506) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide.

Molecular Properties

Compound Name4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide
PubChem CID67554506
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide
SMILESC=CCOc1cccc(C(C)(CCC(N)=O)C2CC2)c1
InChIInChI=1S/C17H23NO2/c1-3-11-20-15-6-4-5-14(12-15)17(2,13-7-8-13)10-9-16(18)19/h3-6,12-13H,1,7-11H2,2H3,(H2,18,19)
InChIKeyJQOOPWMOOHOOFW-UHFFFAOYSA-N
XLogP3.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide?
The IUPAC name of 4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide (CID 67554506) is 4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide.
What is the SMILES notation for 4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide?
The canonical SMILES for 4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide is C=CCOc1cccc(C(C)(CCC(N)=O)C2CC2)c1.
What is the InChIKey of 4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide?
The InChIKey is JQOOPWMOOHOOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-11-20-15-6-4-5-14(12-15)17(2,13-7-8-13)10-9-16(18)19/h3-6,12-13H,1,7-11H2,2H3,(H2,18,19).
What are the key properties of 4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide?
4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide has a molecular weight of 273.38 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-(3-prop-2-enoxyphenyl)pentanamide is sourced from PubChem (CID 67554506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).