N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide

C16H21NO2 — CID 54913063

IUPACN-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)C1CC=CCC1
InChIInChI=1S/C16H21NO2/c1-12(13-8-10-15(18)11-9-13)17(2)16(19)14-6-4-3-5-7-14/h3-4,8-12,14,18H,5-7H2,1-2H3
InChIKeySRXFTZLGAVNSOY-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.27
Rot. Bonds3

About N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide

N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide (PubChem CID 54913063) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide
PubChem CID54913063
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)C1CC=CCC1
InChIInChI=1S/C16H21NO2/c1-12(13-8-10-15(18)11-9-13)17(2)16(19)14-6-4-3-5-7-14/h3-4,8-12,14,18H,5-7H2,1-2H3
InChIKeySRXFTZLGAVNSOY-UHFFFAOYSA-N
XLogP3.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.27
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-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide (CID 54913063) is N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide is CC(c1ccc(O)cc1)N(C)C(=O)C1CC=CCC1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is SRXFTZLGAVNSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(13-8-10-15(18)11-9-13)17(2)16(19)14-6-4-3-5-7-14/h3-4,8-12,14,18H,5-7H2,1-2H3.
What are the key properties of N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide?
N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 54913063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).