2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

C19H21N3O4 — CID 2594208

IUPAC2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H21N3O4/c1-13-3-5-14(6-4-13)20-18(23)10-22(2)11-19(24)21-15-7-8-16-17(9-15)26-12-25-16/h3-9H,10-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFVAMUZJLUZNPRQ-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.23
Rot. Bonds6

About 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 2594208) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID2594208
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H21N3O4/c1-13-3-5-14(6-4-13)20-18(23)10-22(2)11-19(24)21-15-7-8-16-17(9-15)26-12-25-16/h3-9H,10-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFVAMUZJLUZNPRQ-UHFFFAOYSA-N
XLogP2.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588508
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
N-(1,3-benzodioxol-5-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433749
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 4818793
2-[[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 9347452
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
N-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 9493821
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8747426
N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide
CID 8746036

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 2594208) is 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is FVAMUZJLUZNPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-3-5-14(6-4-13)20-18(23)10-22(2)11-19(24)21-15-7-8-16-17(9-15)26-12-25-16/h3-9H,10-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 355.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2594208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).