3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide

C22H22N2O3 — CID 1104012

IUPAC3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-21-15-17-5-3-2-4-16(17)14-20(21)22(25)23-18-6-8-19(9-7-18)24-10-12-27-13-11-24/h2-9,14-15H,10-13H2,1H3,(H,23,25)
InChIKeyZZPYRWQPKUSUJH-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.94
Rot. Bonds4

About 3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide

3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide (PubChem CID 1104012) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide
PubChem CID1104012
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-21-15-17-5-3-2-4-16(17)14-20(21)22(25)23-18-6-8-19(9-7-18)24-10-12-27-13-11-24/h2-9,14-15H,10-13H2,1H3,(H,23,25)
InChIKeyZZPYRWQPKUSUJH-UHFFFAOYSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide (CID 1104012) is 3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide?
The InChIKey is ZZPYRWQPKUSUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-21-15-17-5-3-2-4-16(17)14-20(21)22(25)23-18-6-8-19(9-7-18)24-10-12-27-13-11-24/h2-9,14-15H,10-13H2,1H3,(H,23,25).
What are the key properties of 3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide?
3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 1104012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).