N-methyl-N-phenyl-4-propylbenzamide

C17H19NO — CID 47719630

IUPACN-methyl-N-phenyl-4-propylbenzamide
SMILESCCCc1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-3-7-14-10-12-15(13-11-14)17(19)18(2)16-8-5-4-6-9-16/h4-6,8-13H,3,7H2,1-2H3
InChIKeyJXEBALNKPDSFTG-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.92
Rot. Bonds4

About N-methyl-N-phenyl-4-propylbenzamide

N-methyl-N-phenyl-4-propylbenzamide (PubChem CID 47719630) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-propylbenzamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-propylbenzamide
PubChem CID47719630
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-methyl-N-phenyl-4-propylbenzamide
SMILESCCCc1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-3-7-14-10-12-15(13-11-14)17(19)18(2)16-8-5-4-6-9-16/h4-6,8-13H,3,7H2,1-2H3
InChIKeyJXEBALNKPDSFTG-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-methyl-N-(4-propylphenyl)benzamide
CID 115160987
methyl-(4-propylphenyl)carbamic acid
CID 115170704
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109043733
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
4-isocyano-N-methyl-N-phenylbenzamide
CID 58453064
4-butyl-N-hydroxy-N-phenylbenzamide
CID 14768049
N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide
CID 134109031
4-acetyl-N-methyl-N-phenylbenzamide;ethane;propane;toluene
CID 143365763
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
N-(3-ethylphenyl)-N-methylbenzamide
CID 90124245
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109048603

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-propylbenzamide?
The IUPAC name of N-methyl-N-phenyl-4-propylbenzamide (CID 47719630) is N-methyl-N-phenyl-4-propylbenzamide.
What is the SMILES notation for N-methyl-N-phenyl-4-propylbenzamide?
The canonical SMILES for N-methyl-N-phenyl-4-propylbenzamide is CCCc1ccc(C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-phenyl-4-propylbenzamide?
The InChIKey is JXEBALNKPDSFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-7-14-10-12-15(13-11-14)17(19)18(2)16-8-5-4-6-9-16/h4-6,8-13H,3,7H2,1-2H3.
What are the key properties of N-methyl-N-phenyl-4-propylbenzamide?
N-methyl-N-phenyl-4-propylbenzamide has a molecular weight of 253.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-propylbenzamide is sourced from PubChem (CID 47719630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).