2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide

C21H25NO3 — CID 17086733

IUPAC2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccccc2OCCC(C)C)c1
InChIInChI=1S/C21H25NO3/c1-4-13-24-18-9-7-8-17(15-18)22-21(23)19-10-5-6-11-20(19)25-14-12-16(2)3/h4-11,15-16H,1,12-14H2,2-3H3,(H,22,23)
InChIKeyRCMKGSPZDYLCRL-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.93
Rot. Bonds9

About 2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide

2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 17086733) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID17086733
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccccc2OCCC(C)C)c1
InChIInChI=1S/C21H25NO3/c1-4-13-24-18-9-7-8-17(15-18)22-21(23)19-10-5-6-11-20(19)25-14-12-16(2)3/h4-11,15-16H,1,12-14H2,2-3H3,(H,22,23)
InChIKeyRCMKGSPZDYLCRL-UHFFFAOYSA-N
XLogP4.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.93
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

N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide
CID 17086740
N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 17094817
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 26164686
2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide
CID 6461638
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407
2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086764
N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415
5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17169902
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154784

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide (CID 17086733) is 2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2ccccc2OCCC(C)C)c1.
What is the InChIKey of 2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is RCMKGSPZDYLCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-4-13-24-18-9-7-8-17(15-18)22-21(23)19-10-5-6-11-20(19)25-14-12-16(2)3/h4-11,15-16H,1,12-14H2,2-3H3,(H,22,23).
What are the key properties of 2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 17086733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).