N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide

C19H21NO2 — CID 59811250

IUPACN-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(/C=C/C(C)C)cc2)c1
InChIInChI=1S/C19H21NO2/c1-14(2)7-8-15-9-11-16(12-10-15)19(21)20-17-5-4-6-18(13-17)22-3/h4-14H,1-3H3,(H,20,21)/b8-7+
InChIKeyGNTDZGAFTBIELZ-BQYQJAHWSA-N
MW295.38 g/mol
LogP4.62
Rot. Bonds5

About N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide

N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide (PubChem CID 59811250) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
PubChem CID59811250
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(/C=C/C(C)C)cc2)c1
InChIInChI=1S/C19H21NO2/c1-14(2)7-8-15-9-11-16(12-10-15)19(21)20-17-5-4-6-18(13-17)22-3/h4-14H,1-3H3,(H,20,21)/b8-7+
InChIKeyGNTDZGAFTBIELZ-BQYQJAHWSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363704
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide
CID 174203715
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 1218490
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide (CID 59811250) is N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide is COc1cccc(NC(=O)c2ccc(/C=C/C(C)C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide?
The InChIKey is GNTDZGAFTBIELZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(2)7-8-15-9-11-16(12-10-15)19(21)20-17-5-4-6-18(13-17)22-3/h4-14H,1-3H3,(H,20,21)/b8-7+.
What are the key properties of N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide?
N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide has a molecular weight of 295.38 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide is sourced from PubChem (CID 59811250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).