4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide

C21H25NO2 — CID 11529895

IUPAC4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide
SMILESCC(C)(C)/C=C/c1ccc(C(=O)Nc2ccccc2CCO)cc1
InChIInChI=1S/C21H25NO2/c1-21(2,3)14-12-16-8-10-18(11-9-16)20(24)22-19-7-5-4-6-17(19)13-15-23/h4-12,14,23H,13,15H2,1-3H3,(H,22,24)/b14-12+
InChIKeyVTCUGPBUXPIDOH-WYMLVPIESA-N
MW323.44 g/mol
LogP4.53
Rot. Bonds5

About 4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide

4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide (PubChem CID 11529895) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide
PubChem CID11529895
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide
SMILESCC(C)(C)/C=C/c1ccc(C(=O)Nc2ccccc2CCO)cc1
InChIInChI=1S/C21H25NO2/c1-21(2,3)14-12-16-8-10-18(11-9-16)20(24)22-19-7-5-4-6-17(19)13-15-23/h4-12,14,23H,13,15H2,1-3H3,(H,22,24)/b14-12+
InChIKeyVTCUGPBUXPIDOH-WYMLVPIESA-N
XLogP4.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide
CID 72790654
N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72771533
N-benzyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 85424416
N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72568780
4-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298246
4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 11403664
(2S)-2-hydroxy-N-[2-(2-hydroxyethyl)phenyl]-2-phenylpropanamide
CID 166386395
N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811493
4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide
CID 60653502
4-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide
CID 119440330
2-[2-[(4-methylsulfanylbenzoyl)amino]phenyl]acetic acid
CID 62536865

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide?
The IUPAC name of 4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide (CID 11529895) is 4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide.
What is the SMILES notation for 4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide?
The canonical SMILES for 4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide is CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccccc2CCO)cc1.
What is the InChIKey of 4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide?
The InChIKey is VTCUGPBUXPIDOH-WYMLVPIESA-N. The full InChI is InChI=1S/C21H25NO2/c1-21(2,3)14-12-16-8-10-18(11-9-16)20(24)22-19-7-5-4-6-17(19)13-15-23/h4-12,14,23H,13,15H2,1-3H3,(H,22,24)/b14-12+.
What are the key properties of 4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide?
4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide has a molecular weight of 323.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide is sourced from PubChem (CID 11529895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).