N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide

C18H20N2O4 — CID 109009383

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(NCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O4/c1-12(2)24-15-6-3-13(4-7-15)19-10-18(21)20-14-5-8-16-17(9-14)23-11-22-16/h3-9,12,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyPTXYKOUKTMPKBH-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.25
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide (PubChem CID 109009383) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide
PubChem CID109009383
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(NCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O4/c1-12(2)24-15-6-3-13(4-7-15)19-10-18(21)20-14-5-8-16-17(9-14)23-11-22-16/h3-9,12,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyPTXYKOUKTMPKBH-UHFFFAOYSA-N
XLogP3.25
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.25
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)-2-(4-phenoxyanilino)acetamide
CID 109010719
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955901
N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide
CID 4806518
N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822316
1-(1,3-benzodioxol-5-yl)-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
CID 100635759
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
CID 2560584
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide
CID 109040174
N-(1,3-benzodioxol-5-yl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113934
N-(1,3-benzodioxol-5-yl)-6-(4-propan-2-yloxyanilino)pyridazine-3-carboxamide
CID 109129628
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide
CID 110606306

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide (CID 109009383) is N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide is CC(C)Oc1ccc(NCC(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide?
The InChIKey is PTXYKOUKTMPKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(2)24-15-6-3-13(4-7-15)19-10-18(21)20-14-5-8-16-17(9-14)23-11-22-16/h3-9,12,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide has a molecular weight of 328.37 g/mol, XLogP of 3.25, 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-(4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 109009383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).