N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide

C19H21NO2 — CID 17133060

IUPACN-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cccc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C19H21NO2/c1-13(2)12-22-17-7-5-6-16(11-17)19(21)20-18-10-14(3)8-9-15(18)4/h5-11H,1,12H2,2-4H3,(H,20,21)
InChIKeyCZBSVWFVIOEVNT-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.51
Rot. Bonds5

About N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide

N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide (PubChem CID 17133060) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide
PubChem CID17133060
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cccc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C19H21NO2/c1-13(2)12-22-17-7-5-6-16(11-17)19(21)20-18-10-14(3)8-9-15(18)4/h5-11H,1,12H2,2-4H3,(H,20,21)
InChIKeyCZBSVWFVIOEVNT-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.51
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

N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4954927
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide
CID 17133124
3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097596
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
CID 9253155
N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide
CID 17123767
N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
N-(2,5-dimethylphenyl)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 42063589
3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 6473256
3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide
CID 131913633

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide (CID 17133060) is N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1cccc(C(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide?
The InChIKey is CZBSVWFVIOEVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(2)12-22-17-7-5-6-16(11-17)19(21)20-18-10-14(3)8-9-15(18)4/h5-11H,1,12H2,2-4H3,(H,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide?
N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide has a molecular weight of 295.38 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 17133060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).