4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide

C25H26N2O4 — CID 33498608

IUPAC4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-16-30-22-11-9-19(10-12-22)24(28)13-14-25(29)27-20-7-5-8-23(17-20)31-18-21-6-3-4-15-26-21/h3-12,15,17H,2,13-14,16,18H2,1H3,(H,27,29)
InChIKeyKXCHRDULOMBGCP-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.05
Rot. Bonds11

About 4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide

4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide (PubChem CID 33498608) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide
PubChem CID33498608
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-16-30-22-11-9-19(10-12-22)24(28)13-14-25(29)27-20-7-5-8-23(17-20)31-18-21-6-3-4-15-26-21/h3-12,15,17H,2,13-14,16,18H2,1H3,(H,27,29)
InChIKeyKXCHRDULOMBGCP-UHFFFAOYSA-N
XLogP5.05
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide
CID 55653561
N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 36522730
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
CID 56537727
4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
CID 56582359
N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55834895
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
2-cyclohexyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 38671683
N-(1,3-benzodioxol-5-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9313911

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide?
The IUPAC name of 4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide (CID 33498608) is 4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide is CCCOc1ccc(C(=O)CCC(=O)Nc2cccc(OCc3ccccn3)c2)cc1.
What is the InChIKey of 4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide?
The InChIKey is KXCHRDULOMBGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-16-30-22-11-9-19(10-12-22)24(28)13-14-25(29)27-20-7-5-8-23(17-20)31-18-21-6-3-4-15-26-21/h3-12,15,17H,2,13-14,16,18H2,1H3,(H,27,29).
What are the key properties of 4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide?
4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide has a molecular weight of 418.49 g/mol, XLogP of 5.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 33498608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).