4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide

C20H23NO3 — CID 17123815

IUPAC4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
SMILESC=C(C)COc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)13-23-18-9-5-16(6-10-18)20(22)21-17-7-11-19(12-8-17)24-15(3)4/h5-12,15H,1,13H2,2-4H3,(H,21,22)
InChIKeyYRUAEGVFFPJVTM-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.68
Rot. Bonds7

About 4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide

4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 17123815) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID17123815
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
SMILESC=C(C)COc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)13-23-18-9-5-16(6-10-18)20(22)21-17-7-11-19(12-8-17)24-15(3)4/h5-12,15H,1,13H2,2-4H3,(H,21,22)
InChIKeyYRUAEGVFFPJVTM-UHFFFAOYSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.68
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

4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097607
4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097690
N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide
CID 17123754
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17122622
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097596
2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54830155
N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17097694

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide (CID 17123815) is 4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide is C=C(C)COc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is YRUAEGVFFPJVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(2)13-23-18-9-5-16(6-10-18)20(22)21-17-7-11-19(12-8-17)24-15(3)4/h5-12,15H,1,13H2,2-4H3,(H,21,22).
What are the key properties of 4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide?
4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 325.41 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 17123815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).