N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide

C19H22N2O4 — CID 109040174

IUPACN-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide
SMILESCC(C)Oc1ccccc1NCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O4/c1-13(2)25-16-6-4-3-5-15(16)20-10-9-19(22)21-14-7-8-17-18(11-14)24-12-23-17/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyRGCSMTIZXKDHCS-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.64
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide

N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide (PubChem CID 109040174) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide
PubChem CID109040174
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide
SMILESCC(C)Oc1ccccc1NCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O4/c1-13(2)25-16-6-4-3-5-15(16)20-10-9-19(22)21-14-7-8-17-18(11-14)24-12-23-17/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyRGCSMTIZXKDHCS-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

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Related Compounds

3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109040119
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969589
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143609
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylanilino)propanamide
CID 109036236
N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide
CID 2082414
N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022229
methyl 2-[3-(1,3-benzodioxol-5-ylamino)propanoylamino]benzoate
CID 109041308
N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 109009383
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
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113129799
3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109038195

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide (CID 109040174) is N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide is CC(C)Oc1ccccc1NCCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide?
The InChIKey is RGCSMTIZXKDHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)25-16-6-4-3-5-15(16)20-10-9-19(22)21-14-7-8-17-18(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 N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)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 N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide is sourced from PubChem (CID 109040174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).