2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide

C14H19NO2 — CID 141048660

IUPAC2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCCC1c1ccc(CO)cc1
InChIInChI=1S/C14H19NO2/c15-14(17)13-4-2-1-3-12(13)11-7-5-10(9-16)6-8-11/h5-8,12-13,16H,1-4,9H2,(H2,15,17)
InChIKeyVTXYLFMBKGKBSN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.94
Rot. Bonds3

About 2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide

2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 141048660) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID141048660
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCCC1c1ccc(CO)cc1
InChIInChI=1S/C14H19NO2/c15-14(17)13-4-2-1-3-12(13)11-7-5-10(9-16)6-8-11/h5-8,12-13,16H,1-4,9H2,(H2,15,17)
InChIKeyVTXYLFMBKGKBSN-UHFFFAOYSA-N
XLogP1.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide (CID 141048660) is 2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide is NC(=O)C1CCCCC1c1ccc(CO)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is VTXYLFMBKGKBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-14(17)13-4-2-1-3-12(13)11-7-5-10(9-16)6-8-11/h5-8,12-13,16H,1-4,9H2,(H2,15,17).
What are the key properties of 2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 141048660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).