N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide

C18H20N2O3 — CID 86930980

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide
SMILESCCc1cccc(C)c1NCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O3/c1-3-13-6-4-5-12(2)18(13)19-10-17(21)20-14-7-8-15-16(9-14)23-11-22-15/h4-9,19H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyOEDJJYSSYZZGEE-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.34
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide (PubChem CID 86930980) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide
PubChem CID86930980
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide
SMILESCCc1cccc(C)c1NCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O3/c1-3-13-6-4-5-12(2)18(13)19-10-17(21)20-14-7-8-15-16(9-14)23-11-22-15/h4-9,19H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyOEDJJYSSYZZGEE-UHFFFAOYSA-N
XLogP3.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004358
N-(3-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819356
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 109037137
N-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110370513
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030
N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide
CID 4806518
4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide
CID 33004733
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-(2-methylphenyl)butanamide
CID 110606337
N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994545
2-(2-ethyl-6-methylanilino)-N-(2-ethylphenyl)acetamide
CID 109007629
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide (CID 86930980) is N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide is CCc1cccc(C)c1NCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide?
The InChIKey is OEDJJYSSYZZGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-13-6-4-5-12(2)18(13)19-10-17(21)20-14-7-8-15-16(9-14)23-11-22-15/h4-9,19H,3,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide has a molecular weight of 312.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide is sourced from PubChem (CID 86930980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).