2,5-dimethyl-N-(3-phenylpropyl)benzamide

C18H21NO — CID 2202785

IUPAC2,5-dimethyl-N-(3-phenylpropyl)benzamide
SMILESCc1ccc(C)c(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-14-10-11-15(2)17(13-14)18(20)19-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,19,20)
InChIKeyHXKITKFBWDDCOA-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.67
Rot. Bonds5

About 2,5-dimethyl-N-(3-phenylpropyl)benzamide

2,5-dimethyl-N-(3-phenylpropyl)benzamide (PubChem CID 2202785) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-phenylpropyl)benzamide
PubChem CID2202785
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2,5-dimethyl-N-(3-phenylpropyl)benzamide
SMILESCc1ccc(C)c(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-14-10-11-15(2)17(13-14)18(20)19-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,19,20)
InChIKeyHXKITKFBWDDCOA-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
CID 120630670
2-amino-5-methyl-N-(2-phenylethyl)benzamide
CID 62073277
N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide
CID 100623229
N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
CID 100720245
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
2-iodo-4-methyl-N-(2-phenylethyl)benzamide
CID 100523119
2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide
CID 100526826
2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide
CID 50765976
N,2,5-trimethyl-N-(2-phenylethyl)benzamide
CID 175917988
2,5-dimethyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974414
(2Z)-2-[(2,5-dimethylphenyl)methylidene]-3-oxo-N-(3-phenylpropyl)butanamide
CID 87745866
2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-phenylpropyl)benzamide?
The IUPAC name of 2,5-dimethyl-N-(3-phenylpropyl)benzamide (CID 2202785) is 2,5-dimethyl-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(3-phenylpropyl)benzamide is Cc1ccc(C)c(C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 2,5-dimethyl-N-(3-phenylpropyl)benzamide?
The InChIKey is HXKITKFBWDDCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-10-11-15(2)17(13-14)18(20)19-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,19,20).
What are the key properties of 2,5-dimethyl-N-(3-phenylpropyl)benzamide?
2,5-dimethyl-N-(3-phenylpropyl)benzamide has a molecular weight of 267.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 2202785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).