4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide

C14H21NO3 — CID 115151184

IUPAC4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCC(CO)CC2)o1
InChIInChI=1S/C14H21NO3/c1-10-3-8-13(18-10)15(2)14(17)12-6-4-11(9-16)5-7-12/h3,8,11-12,16H,4-7,9H2,1-2H3
InChIKeyRZCZPFXXYCOMEH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.35
Rot. Bonds3

About 4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide

4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide (PubChem CID 115151184) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide
PubChem CID115151184
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCC(CO)CC2)o1
InChIInChI=1S/C14H21NO3/c1-10-3-8-13(18-10)15(2)14(17)12-6-4-11(9-16)5-7-12/h3,8,11-12,16H,4-7,9H2,1-2H3
InChIKeyRZCZPFXXYCOMEH-UHFFFAOYSA-N
XLogP2.35
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide (CID 115151184) is 4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide is Cc1ccc(N(C)C(=O)C2CCC(CO)CC2)o1.
What is the InChIKey of 4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide?
The InChIKey is RZCZPFXXYCOMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-3-8-13(18-10)15(2)14(17)12-6-4-11(9-16)5-7-12/h3,8,11-12,16H,4-7,9H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide?
4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).