N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide

C22H25NO5 — CID 43024719

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide
SMILESCC(=O)c1cc2c(cc1NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1)OCO2
InChIInChI=1S/C22H25NO5/c1-13(24)17-10-19-20(27-12-26-19)11-18(17)23-21(25)14(2)28-16-8-6-15(7-9-16)22(3,4)5/h6-11,14H,12H2,1-5H3,(H,23,25)
InChIKeyYVTAICXVSKKWJO-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.32
Rot. Bonds5

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide (PubChem CID 43024719) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide
PubChem CID43024719
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide
SMILESCC(=O)c1cc2c(cc1NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1)OCO2
InChIInChI=1S/C22H25NO5/c1-13(24)17-10-19-20(27-12-26-19)11-18(17)23-21(25)14(2)28-16-8-6-15(7-9-16)22(3,4)5/h6-11,14H,12H2,1-5H3,(H,23,25)
InChIKeyYVTAICXVSKKWJO-UHFFFAOYSA-N
XLogP4.32
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-methylphenoxy)propanamide
CID 837344
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 18076874
(2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloropropanamide
CID 40558372
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)propanamide
CID 4615514
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-tert-butylphenoxy)acetamide
CID 42989727
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55364059
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide
CID 131894546
2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
CID 2216687
2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide
CID 43024778
2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide
CID 55984335
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 7036907

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide (CID 43024719) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide is CC(=O)c1cc2c(cc1NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide?
The InChIKey is YVTAICXVSKKWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-13(24)17-10-19-20(27-12-26-19)11-18(17)23-21(25)14(2)28-16-8-6-15(7-9-16)22(3,4)5/h6-11,14H,12H2,1-5H3,(H,23,25).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide has a molecular weight of 383.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenoxy)propanamide is sourced from PubChem (CID 43024719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).