4-methyl-N-(2-pent-1-enylphenyl)benzamide

C19H21NO — CID 71401621

IUPAC4-methyl-N-(2-pent-1-enylphenyl)benzamide
SMILESCCCC=Cc1ccccc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO/c1-3-4-5-8-16-9-6-7-10-18(16)20-19(21)17-13-11-15(2)12-14-17/h5-14H,3-4H2,1-2H3,(H,20,21)
InChIKeyXYERMAIFNDJYQO-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.06
Rot. Bonds5

About 4-methyl-N-(2-pent-1-enylphenyl)benzamide

4-methyl-N-(2-pent-1-enylphenyl)benzamide (PubChem CID 71401621) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-methyl-N-(2-pent-1-enylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-pent-1-enylphenyl)benzamide
PubChem CID71401621
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4-methyl-N-(2-pent-1-enylphenyl)benzamide
SMILESCCCC=Cc1ccccc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO/c1-3-4-5-8-16-9-6-7-10-18(16)20-19(21)17-13-11-15(2)12-14-17/h5-14H,3-4H2,1-2H3,(H,20,21)
InChIKeyXYERMAIFNDJYQO-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(E)-hex-1-enyl]phenyl]acetamide
CID 10998472
N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide
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(2-but-1-enylphenyl)carbamic acid
CID 163942827
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
CID 39192976
N-[2-[(E)-hex-1-enyl]phenyl]butanamide
CID 173339802
N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide
CID 59811361
N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
CID 82034348
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-[2-(4-azidobut-1-enyl)phenyl]acetamide
CID 170485725
N-(2-ethyl-4-methylphenyl)benzamide
CID 174323635
4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-pent-1-enylphenyl)benzamide?
The IUPAC name of 4-methyl-N-(2-pent-1-enylphenyl)benzamide (CID 71401621) is 4-methyl-N-(2-pent-1-enylphenyl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-pent-1-enylphenyl)benzamide?
The canonical SMILES for 4-methyl-N-(2-pent-1-enylphenyl)benzamide is CCCC=Cc1ccccc1NC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-pent-1-enylphenyl)benzamide?
The InChIKey is XYERMAIFNDJYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-4-5-8-16-9-6-7-10-18(16)20-19(21)17-13-11-15(2)12-14-17/h5-14H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-N-(2-pent-1-enylphenyl)benzamide?
4-methyl-N-(2-pent-1-enylphenyl)benzamide has a molecular weight of 279.38 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-pent-1-enylphenyl)benzamide is sourced from PubChem (CID 71401621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).