N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide

C17H25NO2 — CID 106827698

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)C1(C)CCCCC1
InChIInChI=1S/C17H25NO2/c1-13(14-9-5-6-10-15(14)19)18(3)16(20)17(2)11-7-4-8-12-17/h5-6,9-10,13,19H,4,7-8,11-12H2,1-3H3
InChIKeyVAJAPRRDHASLMH-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.88
Rot. Bonds3

About N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide

N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide (PubChem CID 106827698) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide
PubChem CID106827698
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)C1(C)CCCCC1
InChIInChI=1S/C17H25NO2/c1-13(14-9-5-6-10-15(14)19)18(3)16(20)17(2)11-7-4-8-12-17/h5-6,9-10,13,19H,4,7-8,11-12H2,1-3H3
InChIKeyVAJAPRRDHASLMH-UHFFFAOYSA-N
XLogP3.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide (CID 106827698) is N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide is CC(c1ccccc1O)N(C)C(=O)C1(C)CCCCC1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide?
The InChIKey is VAJAPRRDHASLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(14-9-5-6-10-15(14)19)18(3)16(20)17(2)11-7-4-8-12-17/h5-6,9-10,13,19H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide?
N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 106827698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).