N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide

C20H25NO — CID 118398514

IUPACN-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide
SMILESCc1ccc(CCNC(=O)CCCCc2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-17-11-13-19(14-12-17)15-16-21-20(22)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3,(H,21,22)
InChIKeyHELWLYUCDWOBLX-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.07
Rot. Bonds8

About N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide

N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide (PubChem CID 118398514) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide
PubChem CID118398514
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide
SMILESCc1ccc(CCNC(=O)CCCCc2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-17-11-13-19(14-12-17)15-16-21-20(22)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3,(H,21,22)
InChIKeyHELWLYUCDWOBLX-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.07
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide (CID 118398514) is N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide is Cc1ccc(CCNC(=O)CCCCc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide?
The InChIKey is HELWLYUCDWOBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-17-11-13-19(14-12-17)15-16-21-20(22)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3,(H,21,22).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide?
N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide has a molecular weight of 295.43 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-5-phenylpentanamide is sourced from PubChem (CID 118398514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).