N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide

C13H23NO2 — CID 115184029

IUPACN-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(CO)CCC1)C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-14(11-6-3-2-4-7-11)12(16)13(10-15)8-5-9-13/h11,15H,2-10H2,1H3
InChIKeyUCSLQACPLBJFFF-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.94
Rot. Bonds3

About N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide

N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 115184029) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
PubChem CID115184029
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(CO)CCC1)C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-14(11-6-3-2-4-7-11)12(16)13(10-15)8-5-9-13/h11,15H,2-10H2,1H3
InChIKeyUCSLQACPLBJFFF-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide (CID 115184029) is N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1(CO)CCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is UCSLQACPLBJFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14(11-6-3-2-4-7-11)12(16)13(10-15)8-5-9-13/h11,15H,2-10H2,1H3.
What are the key properties of N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115184029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).