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

C23H30N2O5 — CID 26690586

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C23H30N2O5/c1-5-29-21-15-19(25-9-11-28-12-10-25)22(30-6-2)14-18(21)24-23(26)17-8-7-16(3)20(13-17)27-4/h7-8,13-15H,5-6,9-12H2,1-4H3,(H,24,26)
InChIKeyCBALKVIXFVJGRC-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.89
Rot. Bonds8

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

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide (PubChem CID 26690586) 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)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
PubChem CID26690586
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C23H30N2O5/c1-5-29-21-15-19(25-9-11-28-12-10-25)22(30-6-2)14-18(21)24-23(26)17-8-7-16(3)20(13-17)27-4/h7-8,13-15H,5-6,9-12H2,1-4H3,(H,24,26)
InChIKeyCBALKVIXFVJGRC-UHFFFAOYSA-N
XLogP3.89
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.89
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

3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152
4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 26701955
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
CID 22830164
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792595
N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide
CID 17027218
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 9079458
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 4614512
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 2469347
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55645598
4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 26664489

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide (CID 26690586) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide?
The InChIKey is CBALKVIXFVJGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-5-29-21-15-19(25-9-11-28-12-10-25)22(30-6-2)14-18(21)24-23(26)17-8-7-16(3)20(13-17)27-4/h7-8,13-15H,5-6,9-12H2,1-4H3,(H,24,26).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide has a molecular weight of 414.50 g/mol, XLogP of 3.89, 8 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)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 26690586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).