N-[5-(4-methylphenyl)pent-4-ynyl]benzamide

C19H19NO — CID 102443613

IUPACN-[5-(4-methylphenyl)pent-4-ynyl]benzamide
SMILESCc1ccc(C#CCCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19NO/c1-16-11-13-17(14-12-16)8-4-3-7-15-20-19(21)18-9-5-2-6-10-18/h2,5-6,9-14H,3,7,15H2,1H3,(H,20,21)
InChIKeyARWRVIXBAPNXOU-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.56
Rot. Bonds4

About N-[5-(4-methylphenyl)pent-4-ynyl]benzamide

N-[5-(4-methylphenyl)pent-4-ynyl]benzamide (PubChem CID 102443613) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)pent-4-ynyl]benzamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)pent-4-ynyl]benzamide
PubChem CID102443613
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-[5-(4-methylphenyl)pent-4-ynyl]benzamide
SMILESCc1ccc(C#CCCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19NO/c1-16-11-13-17(14-12-16)8-4-3-7-15-20-19(21)18-9-5-2-6-10-18/h2,5-6,9-14H,3,7,15H2,1H3,(H,20,21)
InChIKeyARWRVIXBAPNXOU-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(4-hept-1-ynylphenyl)benzoyl]amino]butanoic acid
CID 70178074
(E)-8-(4-methylphenyl)-1-phenyloct-2-en-7-yn-1-one
CID 135078979
N-(3-cyanopropyl)benzamide
CID 62666234
N-hept-2-ynylbenzamide
CID 102291976
N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide
CID 90551549
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
N-(4-oxopentyl)benzamide
CID 10798281
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
N-(3,3-dimethylbutyl)-4-(2-phenylethynyl)benzamide
CID 25125996
N-(4-aminobutyl)-4-(3-aminoprop-1-ynyl)benzamide
CID 172548745
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)pent-4-ynyl]benzamide?
The IUPAC name of N-[5-(4-methylphenyl)pent-4-ynyl]benzamide (CID 102443613) is N-[5-(4-methylphenyl)pent-4-ynyl]benzamide.
What is the SMILES notation for N-[5-(4-methylphenyl)pent-4-ynyl]benzamide?
The canonical SMILES for N-[5-(4-methylphenyl)pent-4-ynyl]benzamide is Cc1ccc(C#CCCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)pent-4-ynyl]benzamide?
The InChIKey is ARWRVIXBAPNXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-16-11-13-17(14-12-16)8-4-3-7-15-20-19(21)18-9-5-2-6-10-18/h2,5-6,9-14H,3,7,15H2,1H3,(H,20,21).
What are the key properties of N-[5-(4-methylphenyl)pent-4-ynyl]benzamide?
N-[5-(4-methylphenyl)pent-4-ynyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)pent-4-ynyl]benzamide is sourced from PubChem (CID 102443613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).