2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide

C25H25NO4 — CID 17130494

IUPAC2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
SMILESC=C(C)COc1ccccc1C(=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C25H25NO4/c1-19(2)18-30-24-14-7-6-13-23(24)25(27)26-20-9-8-12-22(17-20)29-16-15-28-21-10-4-3-5-11-21/h3-14,17H,1,15-16,18H2,2H3,(H,26,27)
InChIKeyTWNYOFGHOADHOK-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.35
Rot. Bonds10

About 2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide

2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide (PubChem CID 17130494) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
PubChem CID17130494
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
SMILESC=C(C)COc1ccccc1C(=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C25H25NO4/c1-19(2)18-30-24-14-7-6-13-23(24)25(27)26-20-9-8-12-22(17-20)29-16-15-28-21-10-4-3-5-11-21/h3-14,17H,1,15-16,18H2,2H3,(H,26,27)
InChIKeyTWNYOFGHOADHOK-UHFFFAOYSA-N
XLogP5.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130484
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130400
N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130408
2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54826186
N-(4-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130457
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
N-naphthalen-2-yl-2-(2-phenoxyethoxy)benzamide
CID 17231987
2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide
CID 139322954
2-(2-ethoxyethoxy)-N-(3-methoxyphenyl)benzamide
CID 17122713
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide (CID 17130494) is 2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide is C=C(C)COc1ccccc1C(=O)Nc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The InChIKey is TWNYOFGHOADHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-19(2)18-30-24-14-7-6-13-23(24)25(27)26-20-9-8-12-22(17-20)29-16-15-28-21-10-4-3-5-11-21/h3-14,17H,1,15-16,18H2,2H3,(H,26,27).
What are the key properties of 2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide has a molecular weight of 403.48 g/mol, XLogP of 5.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 17130494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).