N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide

C26H37N3O5 — CID 46630394

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(C)CCOc1ccccc1C
InChIInChI=1S/C26H37N3O5/c1-5-32-24-18-22(29-12-14-31-15-13-29)25(33-6-2)17-21(24)27-26(30)19-28(4)11-16-34-23-10-8-7-9-20(23)3/h7-10,17-18H,5-6,11-16,19H2,1-4H3,(H,27,30)
InChIKeyVNGQHIPXTXQLAS-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.58
Rot. Bonds12

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide (PubChem CID 46630394) has the molecular formula C26H37N3O5 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
PubChem CID46630394
Molecular FormulaC26H37N3O5
Molecular Weight471.60 g/mol
Exact Mass471.27
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(C)CCOc1ccccc1C
InChIInChI=1S/C26H37N3O5/c1-5-32-24-18-22(29-12-14-31-15-13-29)25(33-6-2)17-21(24)27-26(30)19-28(4)11-16-34-23-10-8-7-9-20(23)3/h7-10,17-18H,5-6,11-16,19H2,1-4H3,(H,27,30)
InChIKeyVNGQHIPXTXQLAS-UHFFFAOYSA-N
XLogP3.58
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[furan-2-ylmethyl(methyl)amino]acetamide
CID 8593390
2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 55628481
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2-ethoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
CID 26381318
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
2-(4-chloro-2-methylphenoxy)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4805862
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592828
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4968363
2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3447844
2-O-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506026

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide (CID 46630394) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(C)CCOc1ccccc1C.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide?
The InChIKey is VNGQHIPXTXQLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O5/c1-5-32-24-18-22(29-12-14-31-15-13-29)25(33-6-2)17-21(24)27-26(30)19-28(4)11-16-34-23-10-8-7-9-20(23)3/h7-10,17-18H,5-6,11-16,19H2,1-4H3,(H,27,30).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide has a molecular weight of 471.60 g/mol, XLogP of 3.58, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide is sourced from PubChem (CID 46630394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).