N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide

C24H26N2O3 — CID 54812451

IUPACN-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
SMILESCCC(C)Oc1cccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C24H26N2O3/c1-3-18(2)28-23-11-7-8-20(16-23)26-24(27)17-25-19-12-14-22(15-13-19)29-21-9-5-4-6-10-21/h4-16,18,25H,3,17H2,1-2H3,(H,26,27)
InChIKeyGJSCRNKLADYRMG-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.71
Rot. Bonds9

About N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide

N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide (PubChem CID 54812451) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
PubChem CID54812451
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
SMILESCCC(C)Oc1cccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C24H26N2O3/c1-3-18(2)28-23-11-7-8-20(16-23)26-24(27)17-25-19-12-14-22(15-13-19)29-21-9-5-4-6-10-21/h4-16,18,25H,3,17H2,1-2H3,(H,26,27)
InChIKeyGJSCRNKLADYRMG-UHFFFAOYSA-N
XLogP5.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820106
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839942
methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate
CID 54817038
N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide
CID 54830125
N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide
CID 54812613
2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide
CID 54830088
N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
CID 54815838
N-(3-acetylphenyl)-2-(4-phenoxyanilino)acetamide
CID 109009860
N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834127
N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831493

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide?
The IUPAC name of N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide (CID 54812451) is N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide.
What is the SMILES notation for N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide?
The canonical SMILES for N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide is CCC(C)Oc1cccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide?
The InChIKey is GJSCRNKLADYRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-18(2)28-23-11-7-8-20(16-23)26-24(27)17-25-19-12-14-22(15-13-19)29-21-9-5-4-6-10-21/h4-16,18,25H,3,17H2,1-2H3,(H,26,27).
What are the key properties of N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide?
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide has a molecular weight of 390.48 g/mol, XLogP of 5.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide is sourced from PubChem (CID 54812451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).