dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide

C25H31N2O2+ — CID 143173959

IUPACdimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide
SMILESC[NH+](C)C1CCOCC1.Cc1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H15NO.C7H15NO/c1-13-9-11-15(12-10-13)19-18(20)17-8-4-6-14-5-2-3-7-16(14)17;1-8(2)7-3-5-9-6-4-7/h2-12H,1H3,(H,19,20);7H,3-6H2,1-2H3/p+1
InChIKeyDRHGXLCVUDBIJY-UHFFFAOYSA-O
MW391.54 g/mol
LogP3.71
Rot. Bonds3

About dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide

dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide (PubChem CID 143173959) has the molecular formula C25H31N2O2+ and a molecular weight of 391.54 g/mol. Its IUPAC name is dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Namedimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide
PubChem CID143173959
Molecular FormulaC25H31N2O2+
Molecular Weight391.54 g/mol
Exact Mass391.24
IUPAC Namedimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide
SMILESC[NH+](C)C1CCOCC1.Cc1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H15NO.C7H15NO/c1-13-9-11-15(12-10-13)19-18(20)17-8-4-6-14-5-2-3-7-16(14)17;1-8(2)7-3-5-9-6-4-7/h2-12H,1H3,(H,19,20);7H,3-6H2,1-2H3/p+1
InChIKeyDRHGXLCVUDBIJY-UHFFFAOYSA-O
XLogP3.71
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide?
The IUPAC name of dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide (CID 143173959) is dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide is C[NH+](C)C1CCOCC1.Cc1ccc(NC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide?
The InChIKey is DRHGXLCVUDBIJY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15NO.C7H15NO/c1-13-9-11-15(12-10-13)19-18(20)17-8-4-6-14-5-2-3-7-16(14)17;1-8(2)7-3-5-9-6-4-7/h2-12H,1H3,(H,19,20);7H,3-6H2,1-2H3/p+1.
What are the key properties of dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide?
dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 143173959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).