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

C25H26N2O3 — CID 68909664

IUPAC4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
SMILESCCc1cc(-c2ccc(C(=O)CCC(=O)NCc3cccnc3)cc2)ccc1OC
InChIInChI=1S/C25H26N2O3/c1-3-19-15-22(10-12-24(19)30-2)20-6-8-21(9-7-20)23(28)11-13-25(29)27-17-18-5-4-14-26-16-18/h4-10,12,14-16H,3,11,13,17H2,1-2H3,(H,27,29)
InChIKeyRQJIRRROUCBYOH-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.60
Rot. Bonds9

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

4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 68909664) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
PubChem CID68909664
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
SMILESCCc1cc(-c2ccc(C(=O)CCC(=O)NCc3cccnc3)cc2)ccc1OC
InChIInChI=1S/C25H26N2O3/c1-3-19-15-22(10-12-24(19)30-2)20-6-8-21(9-7-20)23(28)11-13-25(29)27-17-18-5-4-14-26-16-18/h4-10,12,14-16H,3,11,13,17H2,1-2H3,(H,27,29)
InChIKeyRQJIRRROUCBYOH-UHFFFAOYSA-N
XLogP4.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 29175980
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110767628
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 2990525
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113119744
2-(2-methoxyphenyl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 131702715
2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride
CID 71429785

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide (CID 68909664) is 4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide is CCc1cc(-c2ccc(C(=O)CCC(=O)NCc3cccnc3)cc2)ccc1OC.
What is the InChIKey of 4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is RQJIRRROUCBYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-19-15-22(10-12-24(19)30-2)20-6-8-21(9-7-20)23(28)11-13-25(29)27-17-18-5-4-14-26-16-18/h4-10,12,14-16H,3,11,13,17H2,1-2H3,(H,27,29).
What are the key properties of 4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 402.49 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 68909664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).