N-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide

C15H21NO2 — CID 11841386

IUPACN-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide
SMILESCC(O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-11(17)13-8-5-9-14(10-13)16-15(18)12-6-3-2-4-7-12/h5,8-12,17H,2-4,6-7H2,1H3,(H,16,18)
InChIKeyZCCKEVCADASSSM-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.26
Rot. Bonds3

About N-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide

N-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide (PubChem CID 11841386) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide
PubChem CID11841386
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide
SMILESCC(O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-11(17)13-8-5-9-14(10-13)16-15(18)12-6-3-2-4-7-12/h5,8-12,17H,2-4,6-7H2,1H3,(H,16,18)
InChIKeyZCCKEVCADASSSM-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide (CID 11841386) is N-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide is CC(O)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide?
The InChIKey is ZCCKEVCADASSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(17)13-8-5-9-14(10-13)16-15(18)12-6-3-2-4-7-12/h5,8-12,17H,2-4,6-7H2,1H3,(H,16,18).
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide?
N-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide has a molecular weight of 247.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 11841386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).