2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide

C25H32N4O4 — CID 55628481

IUPAC2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(C)Cc1cccc(C#N)c1
InChIInChI=1S/C25H32N4O4/c1-4-32-23-15-22(29-9-11-31-12-10-29)24(33-5-2)14-21(23)27-25(30)18-28(3)17-20-8-6-7-19(13-20)16-26/h6-8,13-15H,4-5,9-12,17-18H2,1-3H3,(H,27,30)
InChIKeyMGWLAPLHNAYGJQ-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.26
Rot. Bonds10

About 2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide

2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide (PubChem CID 55628481) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
PubChem CID55628481
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(C)Cc1cccc(C#N)c1
InChIInChI=1S/C25H32N4O4/c1-4-32-23-15-22(29-9-11-31-12-10-29)24(33-5-2)14-21(23)27-25(30)18-28(3)17-20-8-6-7-19(13-20)16-26/h6-8,13-15H,4-5,9-12,17-18H2,1-3H3,(H,27,30)
InChIKeyMGWLAPLHNAYGJQ-UHFFFAOYSA-N
XLogP3.26
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.26
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
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 46630394
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-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26689447
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide
CID 63099208
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3447844
N-(4-cyanophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
CID 17494196
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26663462

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide (CID 55628481) is 2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(C)Cc1cccc(C#N)c1.
What is the InChIKey of 2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is MGWLAPLHNAYGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-4-32-23-15-22(29-9-11-31-12-10-29)24(33-5-2)14-21(23)27-25(30)18-28(3)17-20-8-6-7-19(13-20)16-26/h6-8,13-15H,4-5,9-12,17-18H2,1-3H3,(H,27,30).
What are the key properties of 2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 452.56 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55628481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).