N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide

C23H30N2O5 — CID 3450203

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C23H30N2O5/c1-4-28-21-16-20(25-11-13-27-14-12-25)22(29-5-2)15-19(21)24-23(26)17(3)30-18-9-7-6-8-10-18/h6-10,15-17H,4-5,11-14H2,1-3H3,(H,24,26)
InChIKeyKXNMNJUUZCGARY-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.73
Rot. Bonds9

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

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide (PubChem CID 3450203) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide
PubChem CID3450203
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C23H30N2O5/c1-4-28-21-16-20(25-11-13-27-14-12-25)22(29-5-2)15-19(21)24-23(26)17(3)30-18-9-7-6-8-10-18/h6-10,15-17H,4-5,11-14H2,1-3H3,(H,24,26)
InChIKeyKXNMNJUUZCGARY-UHFFFAOYSA-N
XLogP3.73
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 41056650
N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 55345333
(2S)-2-(azepan-1-yl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
CID 9323693
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
CID 22830164
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747
(2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 41204315
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 9079458
1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea
CID 8627378
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
CID 98215981

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide (CID 3450203) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide?
The InChIKey is KXNMNJUUZCGARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-4-28-21-16-20(25-11-13-27-14-12-25)22(29-5-2)15-19(21)24-23(26)17(3)30-18-9-7-6-8-10-18/h6-10,15-17H,4-5,11-14H2,1-3H3,(H,24,26).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide has a molecular weight of 414.50 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide is sourced from PubChem (CID 3450203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).