N-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide

C18H21NO2 — CID 2232860

IUPACN-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2cc1O)C1CCCCC1
InChIInChI=1S/C18H21NO2/c1-19(15-9-3-2-4-10-15)18(21)16-11-13-7-5-6-8-14(13)12-17(16)20/h5-8,11-12,15,20H,2-4,9-10H2,1H3
InChIKeyASPRAMXGGRBTSP-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.95
Rot. Bonds2

About N-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide

N-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide (PubChem CID 2232860) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide
PubChem CID2232860
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2cc1O)C1CCCCC1
InChIInChI=1S/C18H21NO2/c1-19(15-9-3-2-4-10-15)18(21)16-11-13-7-5-6-8-14(13)12-17(16)20/h5-8,11-12,15,20H,2-4,9-10H2,1H3
InChIKeyASPRAMXGGRBTSP-UHFFFAOYSA-N
XLogP3.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide (CID 2232860) is N-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide is CN(C(=O)c1cc2ccccc2cc1O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide?
The InChIKey is ASPRAMXGGRBTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19(15-9-3-2-4-10-15)18(21)16-11-13-7-5-6-8-14(13)12-17(16)20/h5-8,11-12,15,20H,2-4,9-10H2,1H3.
What are the key properties of N-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide?
N-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-hydroxy-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 2232860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).