2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide

C20H25N3O2 — CID 108996829

IUPAC2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc(CNCC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-5-4-6-17(13-16)14-21-15-20(24)22-18-7-2-3-8-19(18)23-9-11-25-12-10-23/h2-8,13,21H,9-12,14-15H2,1H3,(H,22,24)
InChIKeySHRROAJYGROOEN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.56
Rot. Bonds6

About 2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide

2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 108996829) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID108996829
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc(CNCC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-5-4-6-17(13-16)14-21-15-20(24)22-18-7-2-3-8-19(18)23-9-11-25-12-10-23/h2-8,13,21H,9-12,14-15H2,1H3,(H,22,24)
InChIKeySHRROAJYGROOEN-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

N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
CID 108996983
2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135405
2-[(2-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996603
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828
N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 47112206
2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109005860
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 110425209
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
3-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 28713588
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3229652

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide (CID 108996829) is 2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide is Cc1cccc(CNCC(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is SHRROAJYGROOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-5-4-6-17(13-16)14-21-15-20(24)22-18-7-2-3-8-19(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 2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)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 2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 108996829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).