3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide

C19H22N2O4 — CID 109040119

IUPAC3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCNc1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O4/c1-13(2)25-16-6-4-3-5-15(16)21-19(22)9-10-20-14-7-8-17-18(11-14)24-12-23-17/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyGKIGZSJHAHWFOD-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.64
Rot. Bonds7

About 3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide

3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 109040119) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID109040119
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCNc1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O4/c1-13(2)25-16-6-4-3-5-15(16)21-19(22)9-10-20-14-7-8-17-18(11-14)24-12-23-17/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyGKIGZSJHAHWFOD-UHFFFAOYSA-N
XLogP3.64
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide
CID 109040174
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969589
methyl 2-[3-(1,3-benzodioxol-5-ylamino)propanoylamino]benzoate
CID 109041308
3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109038195
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143609
3-(1,3-benzodioxol-5-ylamino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109040338
3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109039924
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110767511
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
N-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylanilino)propanamide
CID 109035569
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293849
2-(3-fluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 39426142

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide (CID 109040119) is 3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccccc1NC(=O)CCNc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is GKIGZSJHAHWFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)25-16-6-4-3-5-15(16)21-19(22)9-10-20-14-7-8-17-18(11-14)24-12-23-17/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of 3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109040119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).