2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide

C17H23NO2 — CID 63564606

IUPAC2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)CC1=CCCCC1
InChIInChI=1S/C17H23NO2/c1-13(15-8-10-16(19)11-9-15)18(2)17(20)12-14-6-4-3-5-7-14/h6,8-11,13,19H,3-5,7,12H2,1-2H3
InChIKeyJOKDDILEXQXZBE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.80
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide

2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide (PubChem CID 63564606) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide
PubChem CID63564606
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)CC1=CCCCC1
InChIInChI=1S/C17H23NO2/c1-13(15-8-10-16(19)11-9-15)18(2)17(20)12-14-6-4-3-5-7-14/h6,8-11,13,19H,3-5,7,12H2,1-2H3
InChIKeyJOKDDILEXQXZBE-UHFFFAOYSA-N
XLogP3.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223
2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid
CID 63563829
N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 61042848
N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide
CID 114875153
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
CID 63564415
3-[2-(cyclohexen-1-yl)ethyl]-1-methyl-1-[(1R)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]urea
CID 97020808
N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide
CID 54912821
4-[[2-(cyclohexen-1-yl)acetyl]-methylamino]benzoic acid
CID 104698196
methyl 2-[[2-(cyclohexen-1-yl)acetyl]-propan-2-ylamino]acetate
CID 63565005
N-(1,3-benzoxazol-2-yl)-2-(cyclohexen-1-yl)-N-methylacetamide
CID 122159375
1-(cyclohexen-1-yl)-3-methylpentan-2-one
CID 116659851

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide (CID 63564606) is 2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide is CC(c1ccc(O)cc1)N(C)C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is JOKDDILEXQXZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(15-8-10-16(19)11-9-15)18(2)17(20)12-14-6-4-3-5-7-14/h6,8-11,13,19H,3-5,7,12H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide?
2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 273.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 63564606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).