N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid

C25H27NO4 — CID 143736672

IUPACN-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid
SMILESCOc1ccc2cc(C(=O)Nc3ccc(C4CCCCC4)cc3)ccc2c1.O=CO
InChIInChI=1S/C24H25NO2.CH2O2/c1-27-23-14-11-19-15-21(8-7-20(19)16-23)24(26)25-22-12-9-18(10-13-22)17-5-3-2-4-6-17;2-1-3/h7-17H,2-6H2,1H3,(H,25,26);1H,(H,2,3)
InChIKeyNEYADRZOEXQOFI-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.85
Rot. Bonds4

About N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid

N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid (PubChem CID 143736672) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid
PubChem CID143736672
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid
SMILESCOc1ccc2cc(C(=O)Nc3ccc(C4CCCCC4)cc3)ccc2c1.O=CO
InChIInChI=1S/C24H25NO2.CH2O2/c1-27-23-14-11-19-15-21(8-7-20(19)16-23)24(26)25-22-12-9-18(10-13-22)17-5-3-2-4-6-17;2-1-3/h7-17H,2-6H2,1H3,(H,25,26);1H,(H,2,3)
InChIKeyNEYADRZOEXQOFI-UHFFFAOYSA-N
XLogP5.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide
CID 4831195
N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
CID 112984992
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
2-cyclopentyl-6-methoxynaphthalene
CID 67100251
6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57401328
N-(4-cyclohexylphenyl)benzamide
CID 10333838
4-(cyclohexylcarbamothioylamino)-N-(4-methoxyphenyl)benzamide
CID 8624627
N-(4-cyclohexylphenyl)-3-methyl-4-nitrobenzamide
CID 155697179
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide
CID 110466735

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid?
The IUPAC name of N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid (CID 143736672) is N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid.
What is the SMILES notation for N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid?
The canonical SMILES for N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid is COc1ccc2cc(C(=O)Nc3ccc(C4CCCCC4)cc3)ccc2c1.O=CO.
What is the InChIKey of N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid?
The InChIKey is NEYADRZOEXQOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2.CH2O2/c1-27-23-14-11-19-15-21(8-7-20(19)16-23)24(26)25-22-12-9-18(10-13-22)17-5-3-2-4-6-17;2-1-3/h7-17H,2-6H2,1H3,(H,25,26);1H,(H,2,3).
What are the key properties of N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid?
N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid has a molecular weight of 405.49 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid is sourced from PubChem (CID 143736672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).