N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide

C20H25N3O2 — CID 108996983

IUPACN-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
SMILESCc1cccc(CNC(=O)CNc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-5-4-6-17(13-16)14-22-20(24)15-21-18-7-2-3-8-19(18)23-9-11-25-12-10-23/h2-8,13,21H,9-12,14-15H2,1H3,(H,22,24)
InChIKeyZQUSXAGFTKMGMU-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.56
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide

N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide (PubChem CID 108996983) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
PubChem CID108996983
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
SMILESCc1cccc(CNC(=O)CNc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-5-4-6-17(13-16)14-22-20(24)15-21-18-7-2-3-8-19(18)23-9-11-25-12-10-23/h2-8,13,21H,9-12,14-15H2,1H3,(H,22,24)
InChIKeyZQUSXAGFTKMGMU-UHFFFAOYSA-N
XLogP2.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996829
N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
CID 108997897
2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135405
2-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999300
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943433
N-(2-chlorophenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008426
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008560
N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189983
N-(4-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109009136
N-[(3-methylphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108996939

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide (CID 108996983) is N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide is Cc1cccc(CNC(=O)CNc2ccccc2N2CCOCC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide?
The InChIKey is ZQUSXAGFTKMGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-5-4-6-17(13-16)14-22-20(24)15-21-18-7-2-3-8-19(18)23-9-11-25-12-10-23/h2-8,13,21H,9-12,14-15H2,1H3,(H,22,24).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide?
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide is sourced from PubChem (CID 108996983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).