N-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide

C21H20N2O2 — CID 790963

IUPACN-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O2/c24-21(20-7-3-5-16-4-1-2-6-19(16)20)22-17-8-10-18(11-9-17)23-12-14-25-15-13-23/h1-11H,12-15H2,(H,22,24)
InChIKeyHJUXGLLHBMPOHN-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.93
Rot. Bonds3

About N-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide

N-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide (PubChem CID 790963) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
PubChem CID790963
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O2/c24-21(20-7-3-5-16-4-1-2-6-19(16)20)22-17-8-10-18(11-9-17)23-12-14-25-15-13-23/h1-11H,12-15H2,(H,22,24)
InChIKeyHJUXGLLHBMPOHN-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide (CID 790963) is N-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide?
The InChIKey is HJUXGLLHBMPOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(20-7-3-5-16-4-1-2-6-19(16)20)22-17-8-10-18(11-9-17)23-12-14-25-15-13-23/h1-11H,12-15H2,(H,22,24).
What are the key properties of N-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide?
N-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 790963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).