3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide

C19H23NO2 — CID 4787086

IUPAC3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C19H23NO2/c1-13-7-9-16(10-8-13)20-19(21)17-11-14-5-3-4-6-15(14)12-18(17)22-2/h3-6,11-13,16H,7-10H2,1-2H3,(H,20,21)
InChIKeyADUXQUPEHNZBCQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.16
Rot. Bonds3

About 3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide

3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide (PubChem CID 4787086) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide
PubChem CID4787086
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C19H23NO2/c1-13-7-9-16(10-8-13)20-19(21)17-11-14-5-3-4-6-15(14)12-18(17)22-2/h3-6,11-13,16H,7-10H2,1-2H3,(H,20,21)
InChIKeyADUXQUPEHNZBCQ-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide (CID 4787086) is 3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NC1CCC(C)CC1.
What is the InChIKey of 3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide?
The InChIKey is ADUXQUPEHNZBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-7-9-16(10-8-13)20-19(21)17-11-14-5-3-4-6-15(14)12-18(17)22-2/h3-6,11-13,16H,7-10H2,1-2H3,(H,20,21).
What are the key properties of 3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide?
3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methylcyclohexyl)naphthalene-2-carboxamide is sourced from PubChem (CID 4787086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).