4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide

C20H23NO2 — CID 17097960

IUPAC4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-5-14-23-18-9-7-6-8-17(18)21-19(22)15-10-12-16(13-11-15)20(2,3)4/h5-13H,1,14H2,2-4H3,(H,21,22)
InChIKeyWRZAUVMPLMAASC-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.80
Rot. Bonds5

About 4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide

4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide (PubChem CID 17097960) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
PubChem CID17097960
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-5-14-23-18-9-7-6-8-17(18)21-19(22)15-10-12-16(13-11-15)20(2,3)4/h5-13H,1,14H2,2-4H3,(H,21,22)
InChIKeyWRZAUVMPLMAASC-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892
N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929142
3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097969
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54813857
2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098053
N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824363
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17131462
3-bromo-N-[2-(2-methylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17074334
4-chloro-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17098233
4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide
CID 7941963

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide (CID 17097960) is 4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide is C=CCOc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide?
The InChIKey is WRZAUVMPLMAASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-5-14-23-18-9-7-6-8-17(18)21-19(22)15-10-12-16(13-11-15)20(2,3)4/h5-13H,1,14H2,2-4H3,(H,21,22).
What are the key properties of 4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide?
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide has a molecular weight of 309.41 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 17097960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).