N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide

C18H25NO2 — CID 2977623

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OC(C)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H25NO2/c1-14-8-6-7-11-17(14)21-15(2)18(20)19-13-12-16-9-4-3-5-10-16/h6-9,11,15H,3-5,10,12-13H2,1-2H3,(H,19,20)
InChIKeyDUBIIACQPWDQPT-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide (PubChem CID 2977623) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
PubChem CID2977623
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OC(C)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H25NO2/c1-14-8-6-7-11-17(14)21-15(2)18(20)19-13-12-16-9-4-3-5-10-16/h6-9,11,15H,3-5,10,12-13H2,1-2H3,(H,19,20)
InChIKeyDUBIIACQPWDQPT-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.77
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 N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide (CID 2977623) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide is Cc1ccccc1OC(C)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is DUBIIACQPWDQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-8-6-7-11-17(14)21-15(2)18(20)19-13-12-16-9-4-3-5-10-16/h6-9,11,15H,3-5,10,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide has a molecular weight of 287.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 2977623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).