3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide

C20H23NO2 — CID 17133124

IUPAC3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide
SMILESC=C(C)COc1cccc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C20H23NO2/c1-14(2)13-23-17-9-7-8-16(12-17)20(22)21-19-11-6-5-10-18(19)15(3)4/h5-12,15H,1,13H2,2-4H3,(H,21,22)
InChIKeySNGPQDPJLLLUCK-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.02
Rot. Bonds6

About 3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide

3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 17133124) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide
PubChem CID17133124
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide
SMILESC=C(C)COc1cccc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C20H23NO2/c1-14(2)13-23-17-9-7-8-16(12-17)20(22)21-19-11-6-5-10-18(19)15(3)4/h5-12,15H,1,13H2,2-4H3,(H,21,22)
InChIKeySNGPQDPJLLLUCK-UHFFFAOYSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.02
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

3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17133060
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17161663
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-[2-[(1S)-1-hydroxy-2-methylpropyl]phenyl]-3-(3-methylbut-2-enoxy)benzamide
CID 97251410
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide (CID 17133124) is 3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide is C=C(C)COc1cccc(C(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is SNGPQDPJLLLUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14(2)13-23-17-9-7-8-16(12-17)20(22)21-19-11-6-5-10-18(19)15(3)4/h5-12,15H,1,13H2,2-4H3,(H,21,22).
What are the key properties of 3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide?
3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 309.41 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 17133124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).