4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide

C24H24N2O3 — CID 24995812

IUPAC4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide
SMILESCCc1cc(-c2ccc(C(=O)CCC(=O)NCc3ccccn3)cc2)ccc1O
InChIInChI=1S/C24H24N2O3/c1-2-17-15-20(10-11-22(17)27)18-6-8-19(9-7-18)23(28)12-13-24(29)26-16-21-5-3-4-14-25-21/h3-11,14-15,27H,2,12-13,16H2,1H3,(H,26,29)
InChIKeySRVPEDHGZCCZRD-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.30
Rot. Bonds8

About 4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide

4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 24995812) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide
PubChem CID24995812
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide
SMILESCCc1cc(-c2ccc(C(=O)CCC(=O)NCc3ccccn3)cc2)ccc1O
InChIInChI=1S/C24H24N2O3/c1-2-17-15-20(10-11-22(17)27)18-6-8-19(9-7-18)23(28)12-13-24(29)26-16-21-5-3-4-14-25-21/h3-11,14-15,27H,2,12-13,16H2,1H3,(H,26,29)
InChIKeySRVPEDHGZCCZRD-UHFFFAOYSA-N
XLogP4.30
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide (CID 24995812) is 4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide is CCc1cc(-c2ccc(C(=O)CCC(=O)NCc3ccccn3)cc2)ccc1O.
What is the InChIKey of 4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is SRVPEDHGZCCZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-2-17-15-20(10-11-22(17)27)18-6-8-19(9-7-18)23(28)12-13-24(29)26-16-21-5-3-4-14-25-21/h3-11,14-15,27H,2,12-13,16H2,1H3,(H,26,29).
What are the key properties of 4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide?
4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 388.47 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 24995812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).