N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide

C17H17N3O3 — CID 3520224

IUPACN-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)NN=Cc1ccccc1
InChIInChI=1S/C17H17N3O3/c21-16(20-19-11-14-7-3-1-4-8-14)12-18-17(22)13-23-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,18,22)(H,20,21)
InChIKeyCCXFSXLVJZMUKL-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.33
Rot. Bonds7

About N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide

N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 3520224) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID3520224
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)NN=Cc1ccccc1
InChIInChI=1S/C17H17N3O3/c21-16(20-19-11-14-7-3-1-4-8-14)12-18-17(22)13-23-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,18,22)(H,20,21)
InChIKeyCCXFSXLVJZMUKL-UHFFFAOYSA-N
XLogP1.33
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.33
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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Related Compounds

N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 6110034
2-[(2-phenoxyacetyl)amino]-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 11979311
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6029442
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 135549613
ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 6043138
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6048328

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide (CID 3520224) is N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide is O=C(COc1ccccc1)NCC(=O)NN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is CCXFSXLVJZMUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-16(20-19-11-14-7-3-1-4-8-14)12-18-17(22)13-23-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,18,22)(H,20,21).
What are the key properties of N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide?
N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 311.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 3520224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).