N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide

C25H27NO2 — CID 126509227

IUPACN-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide
SMILESCCCCC(=O)N(Cc1ccc(-c2ccc(O)cc2)cc1)c1cccc(C)c1
InChIInChI=1S/C25H27NO2/c1-3-4-8-25(28)26(23-7-5-6-19(2)17-23)18-20-9-11-21(12-10-20)22-13-15-24(27)16-14-22/h5-7,9-17,27H,3-4,8,18H2,1-2H3
InChIKeyMZEUPXHFBCGUCK-UHFFFAOYSA-N
MW373.50 g/mol
LogP6.09
Rot. Bonds7

About N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide

N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide (PubChem CID 126509227) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide.

Molecular Properties

Compound NameN-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide
PubChem CID126509227
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC NameN-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide
SMILESCCCCC(=O)N(Cc1ccc(-c2ccc(O)cc2)cc1)c1cccc(C)c1
InChIInChI=1S/C25H27NO2/c1-3-4-8-25(28)26(23-7-5-6-19(2)17-23)18-20-9-11-21(12-10-20)22-13-15-24(27)16-14-22/h5-7,9-17,27H,3-4,8,18H2,1-2H3
InChIKeyMZEUPXHFBCGUCK-UHFFFAOYSA-N
XLogP6.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide?
The IUPAC name of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide (CID 126509227) is N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide.
What is the SMILES notation for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide?
The canonical SMILES for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide is CCCCC(=O)N(Cc1ccc(-c2ccc(O)cc2)cc1)c1cccc(C)c1.
What is the InChIKey of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide?
The InChIKey is MZEUPXHFBCGUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-3-4-8-25(28)26(23-7-5-6-19(2)17-23)18-20-9-11-21(12-10-20)22-13-15-24(27)16-14-22/h5-7,9-17,27H,3-4,8,18H2,1-2H3.
What are the key properties of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide?
N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide has a molecular weight of 373.50 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-(3-methylphenyl)pentanamide is sourced from PubChem (CID 126509227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).