3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide

C20H21NO3 — CID 17133121

IUPAC3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2cccc(OCC(=C)C)c2)c1
InChIInChI=1S/C20H21NO3/c1-4-11-23-19-10-6-8-17(13-19)21-20(22)16-7-5-9-18(12-16)24-14-15(2)3/h4-10,12-13H,1-2,11,14H2,3H3,(H,21,22)
InChIKeyPOQDJTAGQGHQLA-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.46
Rot. Bonds8

About 3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide

3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 17133121) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID17133121
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2cccc(OCC(=C)C)c2)c1
InChIInChI=1S/C20H21NO3/c1-4-11-23-19-10-6-8-17(13-19)21-20(22)16-7-5-9-18(12-16)24-14-15(2)3/h4-10,12-13H,1-2,11,14H2,3H3,(H,21,22)
InChIKeyPOQDJTAGQGHQLA-UHFFFAOYSA-N
XLogP4.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17122474
N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17161663
methyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamoyl]benzoate
CID 17178302
2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 168520883
4-methylsulfinyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 86835440
N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
CID 2231510
4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 6459135
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide
CID 17123828
3-bromo-N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 54791453

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide (CID 17133121) is 3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2cccc(OCC(=C)C)c2)c1.
What is the InChIKey of 3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is POQDJTAGQGHQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-11-23-19-10-6-8-17(13-19)21-20(22)16-7-5-9-18(12-16)24-14-15(2)3/h4-10,12-13H,1-2,11,14H2,3H3,(H,21,22).
What are the key properties of 3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 323.39 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 17133121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).