N-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide

C22H28N2O2 — CID 3254185

IUPACN-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCC(C)c1ccc(NC(=O)CCCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-17(2)19-11-13-20(14-12-19)24-22(26)10-6-9-21(25)23-16-15-18-7-4-3-5-8-18/h3-5,7-8,11-14,17H,6,9-10,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyASJKRVNZEUMMAV-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.28
Rot. Bonds9

About N-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide

N-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide (PubChem CID 3254185) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide
PubChem CID3254185
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCC(C)c1ccc(NC(=O)CCCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-17(2)19-11-13-20(14-12-19)24-22(26)10-6-9-21(25)23-16-15-18-7-4-3-5-8-18/h3-5,7-8,11-14,17H,6,9-10,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyASJKRVNZEUMMAV-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide?
The IUPAC name of N-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide (CID 3254185) is N-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide.
What is the SMILES notation for N-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide?
The canonical SMILES for N-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide is CC(C)c1ccc(NC(=O)CCCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of N-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide?
The InChIKey is ASJKRVNZEUMMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(2)19-11-13-20(14-12-19)24-22(26)10-6-9-21(25)23-16-15-18-7-4-3-5-8-18/h3-5,7-8,11-14,17H,6,9-10,15-16H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide?
N-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide has a molecular weight of 352.48 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N'-(4-propan-2-ylphenyl)pentanediamide is sourced from PubChem (CID 3254185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).