N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide

C23H30N2O4 — CID 18209443

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C23H30N2O4/c1-3-28-21-17-20(25-12-14-27-15-13-25)22(29-4-2)16-19(21)24-23(26)11-10-18-8-6-5-7-9-18/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,24,26)
InChIKeyBLOQMUQPOOATEY-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.89
Rot. Bonds9

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide (PubChem CID 18209443) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
PubChem CID18209443
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C23H30N2O4/c1-3-28-21-17-20(25-12-14-27-15-13-25)22(29-4-2)16-19(21)24-23(26)11-10-18-8-6-5-7-9-18/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,24,26)
InChIKeyBLOQMUQPOOATEY-UHFFFAOYSA-N
XLogP3.89
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26663462
4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 26664489
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26689447
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)-2-phenoxypropanamide
CID 3450203
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 26413933
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3432332
N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 2990376
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615520

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide (CID 18209443) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide?
The InChIKey is BLOQMUQPOOATEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-3-28-21-17-20(25-12-14-27-15-13-25)22(29-4-2)16-19(21)24-23(26)11-10-18-8-6-5-7-9-18/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,24,26).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide has a molecular weight of 398.50 g/mol, XLogP of 3.89, 9 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)-3-phenylpropanamide is sourced from PubChem (CID 18209443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).