2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide

C21H20N2O3 — CID 5188168

IUPAC2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
SMILESC#CCOc1ccccc1C=NNC(=O)COc1ccccc1CC=C
InChIInChI=1S/C21H20N2O3/c1-3-9-17-10-5-7-12-19(17)26-16-21(24)23-22-15-18-11-6-8-13-20(18)25-14-4-2/h2-3,5-8,10-13,15H,1,9,14,16H2,(H,23,24)
InChIKeyMAXNXDOBGCGUJZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.96
Rot. Bonds9

About 2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide

2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide (PubChem CID 5188168) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
PubChem CID5188168
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
SMILESC#CCOc1ccccc1C=NNC(=O)COc1ccccc1CC=C
InChIInChI=1S/C21H20N2O3/c1-3-9-17-10-5-7-12-19(17)26-16-21(24)23-22-15-18-11-6-8-13-20(18)25-14-4-2/h2-3,5-8,10-13,15H,1,9,14,16H2,(H,23,24)
InChIKeyMAXNXDOBGCGUJZ-UHFFFAOYSA-N
XLogP2.96
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.96
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)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

N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 6265616
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 3628183
N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 136782137
2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 935509
2-(2-methylphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 2251128
2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5131254
2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 92657814
2-naphthalen-1-yloxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5146586
tert-butyl N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]carbamate
CID 9074646
N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 6111873
4-fluoro-N-[2-oxo-2-[2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3550812
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide (CID 5188168) is 2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide is C#CCOc1ccccc1C=NNC(=O)COc1ccccc1CC=C.
What is the InChIKey of 2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide?
The InChIKey is MAXNXDOBGCGUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-9-17-10-5-7-12-19(17)26-16-21(24)23-22-15-18-11-6-8-13-20(18)25-14-4-2/h2-3,5-8,10-13,15H,1,9,14,16H2,(H,23,24).
What are the key properties of 2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide?
2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide has a molecular weight of 348.40 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5188168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).