N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide

C21H24N2O5 — CID 108969589

IUPACN-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H24N2O5/c1-13(2)28-16-8-6-5-7-15(16)23-20(25)21(3,4)19(24)22-14-9-10-17-18(11-14)27-12-26-17/h5-11,13H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyFYGXEIRJZIPXTF-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.81
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide

N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108969589) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108969589
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H24N2O5/c1-13(2)28-16-8-6-5-7-15(16)23-20(25)21(3,4)19(24)22-14-9-10-17-18(11-14)27-12-26-17/h5-11,13H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyFYGXEIRJZIPXTF-UHFFFAOYSA-N
XLogP3.81
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-N-(1,3-benzodioxol-5-yl)-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143609
N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide
CID 109040174
3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109040119
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969587
N-(4-chlorophenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968985
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968510
N-(1,3-benzodioxol-5-yl)-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108970011
N-(1,3-benzodioxol-5-yl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962983
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293849
2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967269
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967401
N-(1,3-benzodioxol-5-yl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967844

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide (CID 108969589) is N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide is CC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is FYGXEIRJZIPXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-13(2)28-16-8-6-5-7-15(16)23-20(25)21(3,4)19(24)22-14-9-10-17-18(11-14)27-12-26-17/h5-11,13H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 384.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108969589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).