N-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide

C24H21NO — CID 142234863

IUPACN-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide
SMILESCc1ccc(CNC(=O)c2cccc(C#CCc3ccccc3)c2)cc1
InChIInChI=1S/C24H21NO/c1-19-13-15-22(16-14-19)18-25-24(26)23-12-6-11-21(17-23)10-5-9-20-7-3-2-4-8-20/h2-4,6-8,11-17H,9,18H2,1H3,(H,25,26)
InChIKeyQLHYRXPJWVXQLB-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.52
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide

N-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide (PubChem CID 142234863) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide
PubChem CID142234863
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC NameN-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide
SMILESCc1ccc(CNC(=O)c2cccc(C#CCc3ccccc3)c2)cc1
InChIInChI=1S/C24H21NO/c1-19-13-15-22(16-14-19)18-25-24(26)23-12-6-11-21(17-23)10-5-9-20-7-3-2-4-8-20/h2-4,6-8,11-17H,9,18H2,1H3,(H,25,26)
InChIKeyQLHYRXPJWVXQLB-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
N-[(4-methylsulfonylphenyl)methyl]-3-[3-(3-pyridin-3-ylphenyl)prop-1-ynyl]benzamide
CID 10227671
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
N-[(4-aminophenyl)methyl]-3-methylbenzamide
CID 60891807
3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054394
1-N-butyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051077
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 43156132
3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119289031
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide (CID 142234863) is N-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide is Cc1ccc(CNC(=O)c2cccc(C#CCc3ccccc3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide?
The InChIKey is QLHYRXPJWVXQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-19-13-15-22(16-14-19)18-25-24(26)23-12-6-11-21(17-23)10-5-9-20-7-3-2-4-8-20/h2-4,6-8,11-17H,9,18H2,1H3,(H,25,26).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide?
N-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(3-phenylprop-1-ynyl)benzamide is sourced from PubChem (CID 142234863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).