N-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide

C18H19N3O3 — CID 6870364

IUPACN-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccccc2)c1
InChIInChI=1S/C18H19N3O3/c1-14-6-5-9-16(10-14)24-13-18(23)19-12-17(22)21-20-11-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,19,23)(H,21,22)/b20-11+
InChIKeyJEVXWYHFHGCQFK-RGVLZGJSSA-N
MW325.37 g/mol
LogP1.64
Rot. Bonds7

About N-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide

N-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide (PubChem CID 6870364) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
PubChem CID6870364
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccccc2)c1
InChIInChI=1S/C18H19N3O3/c1-14-6-5-9-16(10-14)24-13-18(23)19-12-17(22)21-20-11-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,19,23)(H,21,22)/b20-11+
InChIKeyJEVXWYHFHGCQFK-RGVLZGJSSA-N
XLogP1.64
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide (CID 6870364) is N-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide is Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccccc2)c1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The InChIKey is JEVXWYHFHGCQFK-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-14-6-5-9-16(10-14)24-13-18(23)19-12-17(22)21-20-11-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,19,23)(H,21,22)/b20-11+.
What are the key properties of N-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
N-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide has a molecular weight of 325.37 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 6870364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).