3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C24H26N2O4 — CID 17199877

IUPAC3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C24H26N2O4/c1-3-17(2)21-11-4-5-12-22(21)30-16-23(27)26-19-9-6-8-18(14-19)24(28)25-15-20-10-7-13-29-20/h4-14,17H,3,15-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyUDUZWUSIPOKJLK-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.74
Rot. Bonds9

About 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 17199877) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID17199877
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C24H26N2O4/c1-3-17(2)21-11-4-5-12-22(21)30-16-23(27)26-19-9-6-8-18(14-19)24(28)25-15-20-10-7-13-29-20/h4-14,17H,3,15-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyUDUZWUSIPOKJLK-UHFFFAOYSA-N
XLogP4.74
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17199940
3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55802015
3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54826254
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154653
2-(2-ethoxyethoxy)-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17200047
N-(furan-2-ylmethyl)-3-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817531
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833526
N-(furan-2-ylmethyl)-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 4938414
N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637
N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide
CID 17199974
3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17218695

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 17199877) is 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is CCC(C)c1ccccc1OCC(=O)Nc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is UDUZWUSIPOKJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-3-17(2)21-11-4-5-12-22(21)30-16-23(27)26-19-9-6-8-18(14-19)24(28)25-15-20-10-7-13-29-20/h4-14,17H,3,15-16H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 406.48 g/mol, XLogP of 4.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 17199877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).