2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide

C21H18N2O3 — CID 92663646

IUPAC2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1)N/N=C\c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c24-21(16-25-18-7-3-1-4-8-18)23-22-15-17-11-13-20(14-12-17)26-19-9-5-2-6-10-19/h1-15H,16H2,(H,23,24)/b22-15-
InChIKeyKMBUMOZJKUWYBO-JCMHNJIXSA-N
MW346.39 g/mol
LogP4.01
Rot. Bonds7

About 2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide

2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide (PubChem CID 92663646) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
PubChem CID92663646
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1)N/N=C\c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c24-21(16-25-18-7-3-1-4-8-18)23-22-15-17-11-13-20(14-12-17)26-19-9-5-2-6-10-19/h1-15H,16H2,(H,23,24)/b22-15-
InChIKeyKMBUMOZJKUWYBO-JCMHNJIXSA-N
XLogP4.01
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
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-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126003683
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6048328
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
CID 6293738
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188
N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide
CID 3520224
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 6110034

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide (CID 92663646) is 2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide is O=C(COc1ccccc1)N/N=C\c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide?
The InChIKey is KMBUMOZJKUWYBO-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-21(16-25-18-7-3-1-4-8-18)23-22-15-17-11-13-20(14-12-17)26-19-9-5-2-6-10-19/h1-15H,16H2,(H,23,24)/b22-15-.
What are the key properties of 2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide?
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide has a molecular weight of 346.39 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 92663646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).