2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

C21H24N4O6 — CID 26302531

IUPAC2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C21H24N4O6/c1-3-25(11-19(26)22-14-5-4-6-16(9-14)29-2)12-20(27)24-21(28)23-15-7-8-17-18(10-15)31-13-30-17/h4-10H,3,11-13H2,1-2H3,(H,22,26)(H2,23,24,27,28)
InChIKeyCEQBIZPIVNVULE-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.03
Rot. Bonds8

About 2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 26302531) has the molecular formula C21H24N4O6 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID26302531
Molecular FormulaC21H24N4O6
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C21H24N4O6/c1-3-25(11-19(26)22-14-5-4-6-16(9-14)29-2)12-20(27)24-21(28)23-15-7-8-17-18(10-15)31-13-30-17/h4-10H,3,11-13H2,1-2H3,(H,22,26)(H2,23,24,27,28)
InChIKeyCEQBIZPIVNVULE-UHFFFAOYSA-N
XLogP2.03
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide with MolForge

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Related Compounds

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 27219022
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684
1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(3-methoxyphenyl)urea
CID 51328316
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 2657150
1-[1,3-bis(1,3-benzodioxol-5-yl)propan-2-yl]-3-(3-methoxyphenyl)urea
CID 46286241
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxyphenyl)acetamide
CID 108998752

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (CID 26302531) is 2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is CEQBIZPIVNVULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6/c1-3-25(11-19(26)22-14-5-4-6-16(9-14)29-2)12-20(27)24-21(28)23-15-7-8-17-18(10-15)31-13-30-17/h4-10H,3,11-13H2,1-2H3,(H,22,26)(H2,23,24,27,28).
What are the key properties of 2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 428.45 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 26302531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).