N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide

C25H28N2O4 — CID 9079458

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C25H28N2O4/c1-3-30-23-17-22(27-12-14-29-15-13-27)24(31-4-2)16-21(23)26-25(28)20-11-7-9-18-8-5-6-10-19(18)20/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,26,28)
InChIKeyGBKYKKCFVAIMBS-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.73
Rot. Bonds7

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide (PubChem CID 9079458) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
PubChem CID9079458
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C25H28N2O4/c1-3-30-23-17-22(27-12-14-29-15-13-27)24(31-4-2)16-21(23)26-25(28)20-11-7-9-18-8-5-6-10-19(18)20/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,26,28)
InChIKeyGBKYKKCFVAIMBS-UHFFFAOYSA-N
XLogP4.73
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 4800357
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 5126230
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 4614512
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 2469347
2-O-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506026
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
CID 22830164
3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792595
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide (CID 9079458) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide?
The InChIKey is GBKYKKCFVAIMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-3-30-23-17-22(27-12-14-29-15-13-27)24(31-4-2)16-21(23)26-25(28)20-11-7-9-18-8-5-6-10-19(18)20/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,26,28).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 9079458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).