2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide

C22H26N2O4 — CID 5081383

IUPAC2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1ccccc1C=NNC(=O)COc1ccc(OCCCC)cc1
InChIInChI=1S/C22H26N2O4/c1-3-5-15-26-19-10-12-20(13-11-19)28-17-22(25)24-23-16-18-8-6-7-9-21(18)27-14-4-2/h4,6-13,16H,2-3,5,14-15,17H2,1H3,(H,24,25)
InChIKeyJFNQVUVSGDZZMZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.96
Rot. Bonds12

About 2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide

2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide (PubChem CID 5081383) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
PubChem CID5081383
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1ccccc1C=NNC(=O)COc1ccc(OCCCC)cc1
InChIInChI=1S/C22H26N2O4/c1-3-5-15-26-19-10-12-20(13-11-19)28-17-22(25)24-23-16-18-8-6-7-9-21(18)27-14-4-2/h4,6-13,16H,2-3,5,14-15,17H2,1H3,(H,24,25)
InChIKeyJFNQVUVSGDZZMZ-UHFFFAOYSA-N
XLogP3.96
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxyphenoxy)-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 6265120
2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5131254
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide
CID 45054649
2-(2-methylphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 2251128
N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 3634510
2-(4-butoxyphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766975
2-(2,6-dimethylphenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 54788834
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774
2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5334217
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
2-naphthalen-1-yloxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5146586
N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 6111873

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide (CID 5081383) is 2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide is C=CCOc1ccccc1C=NNC(=O)COc1ccc(OCCCC)cc1.
What is the InChIKey of 2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide?
The InChIKey is JFNQVUVSGDZZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-5-15-26-19-10-12-20(13-11-19)28-17-22(25)24-23-16-18-8-6-7-9-21(18)27-14-4-2/h4,6-13,16H,2-3,5,14-15,17H2,1H3,(H,24,25).
What are the key properties of 2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide?
2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.96, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5081383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).