N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide

C22H25NO2 — CID 141207877

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide
SMILESC=C(COc1cccc2ccccc12)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C22H25NO2/c1-17(22(24)23-15-14-18-8-3-2-4-9-18)16-25-21-13-7-11-19-10-5-6-12-20(19)21/h5-8,10-13H,1-4,9,14-16H2,(H,23,24)
InChIKeyAGMOVDYZSGLXMD-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.78
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide (PubChem CID 141207877) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide
PubChem CID141207877
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide
SMILESC=C(COc1cccc2ccccc12)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C22H25NO2/c1-17(22(24)23-15-14-18-8-3-2-4-9-18)16-25-21-13-7-11-19-10-5-6-12-20(19)21/h5-8,10-13H,1-4,9,14-16H2,(H,23,24)
InChIKeyAGMOVDYZSGLXMD-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2483307
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108984196
2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2706736
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide
CID 18588781
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2914644
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)phenyl]oxamide
CID 86995621

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide (CID 141207877) is N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide is C=C(COc1cccc2ccccc12)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide?
The InChIKey is AGMOVDYZSGLXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-17(22(24)23-15-14-18-8-3-2-4-9-18)16-25-21-13-7-11-19-10-5-6-12-20(19)21/h5-8,10-13H,1-4,9,14-16H2,(H,23,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide has a molecular weight of 335.45 g/mol, XLogP of 4.78, 7 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-(naphthalen-1-yloxymethyl)prop-2-enamide is sourced from PubChem (CID 141207877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).