2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide

C18H18N2O3 — CID 5131254

IUPAC2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1ccccc1C=NNC(=O)COc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-12-22-17-11-7-6-8-15(17)13-19-20-18(21)14-23-16-9-4-3-5-10-16/h2-11,13H,1,12,14H2,(H,20,21)
InChIKeyUBKKRXGEALSRJA-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.78
Rot. Bonds8

About 2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide

2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide (PubChem CID 5131254) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
PubChem CID5131254
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1ccccc1C=NNC(=O)COc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-12-22-17-11-7-6-8-15(17)13-19-20-18(21)14-23-16-9-4-3-5-10-16/h2-11,13H,1,12,14H2,(H,20,21)
InChIKeyUBKKRXGEALSRJA-UHFFFAOYSA-N
XLogP2.78
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5081383
2-(4-butoxyphenoxy)-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 6265120
2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5334217
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774
2-(2-methylphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 2251128
2-naphthalen-1-yloxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5146586
N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 3634510
2-(2,6-dimethylphenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 54788834
2-[2-[[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 805205
N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 5414432
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide
CID 45054649

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide (CID 5131254) is 2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide is C=CCOc1ccccc1C=NNC(=O)COc1ccccc1.
What is the InChIKey of 2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide?
The InChIKey is UBKKRXGEALSRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-12-22-17-11-7-6-8-15(17)13-19-20-18(21)14-23-16-9-4-3-5-10-16/h2-11,13H,1,12,14H2,(H,20,21).
What are the key properties of 2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide?
2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5131254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).