2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide

C20H23N3O3 — CID 6908162

IUPAC2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-16-3-2-4-19(13-16)26-15-20(24)22-21-14-17-5-7-18(8-6-17)23-9-11-25-12-10-23/h2-8,13-14H,9-12,15H2,1H3,(H,22,24)/b21-14+
InChIKeyTVTKZMUSFPRVGA-KGENOOAVSA-N
MW353.42 g/mol
LogP2.36
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide

2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide (PubChem CID 6908162) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
PubChem CID6908162
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-16-3-2-4-19(13-16)26-15-20(24)22-21-14-17-5-7-18(8-6-17)23-9-11-25-12-10-23/h2-8,13-14H,9-12,15H2,1H3,(H,22,24)/b21-14+
InChIKeyTVTKZMUSFPRVGA-KGENOOAVSA-N
XLogP2.36
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6219369
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 4853606
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910954
2-(2-methoxyphenoxy)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 7965556
N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide
CID 4923111
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910962
N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 833030
2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
CID 4038788
4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6029442
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide (CID 6908162) is 2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide is Cc1cccc(OCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The InChIKey is TVTKZMUSFPRVGA-KGENOOAVSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-16-3-2-4-19(13-16)26-15-20(24)22-21-14-17-5-7-18(8-6-17)23-9-11-25-12-10-23/h2-8,13-14H,9-12,15H2,1H3,(H,22,24)/b21-14+.
What are the key properties of 2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide?
2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6908162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).