[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

C24H24N3O3+ — CID 8555634

IUPAC[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C24H23N3O3/c1-16-7-9-17(10-8-16)25-23(28)14-27(2)15-24(29)26-18-11-12-22-20(13-18)19-5-3-4-6-21(19)30-22/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,29)/p+1
InChIKeyCFPYXHBSQBJQHK-UHFFFAOYSA-O
MW402.47 g/mol
LogP2.99
Rot. Bonds6

About [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (PubChem CID 8555634) has the molecular formula C24H24N3O3+ and a molecular weight of 402.47 g/mol. Its IUPAC name is [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
PubChem CID8555634
Molecular FormulaC24H24N3O3+
Molecular Weight402.47 g/mol
Exact Mass402.18
IUPAC Name[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C24H23N3O3/c1-16-7-9-17(10-8-16)25-23(28)14-27(2)15-24(29)26-18-11-12-22-20(13-18)19-5-3-4-6-21(19)30-22/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,29)/p+1
InChIKeyCFPYXHBSQBJQHK-UHFFFAOYSA-O
XLogP2.99
TPSA75.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 8556455
methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8007094
N-dibenzofuran-2-yl-3-methylbutanamide
CID 18082320
[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588768
N-dibenzofuran-2-yl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8519906
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2698061
(2R)-2-amino-N-dibenzofuran-2-ylpropanamide
CID 54996249
N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 8512010
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729153
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
2-(4-acetylphenoxy)-N-dibenzofuran-2-ylacetamide
CID 2635783
N-dibenzofuran-2-yl-2,2,2-trifluoroacetamide
CID 5196274

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (CID 8555634) is [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The InChIKey is CFPYXHBSQBJQHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23N3O3/c1-16-7-9-17(10-8-16)25-23(28)14-27(2)15-24(29)26-18-11-12-22-20(13-18)19-5-3-4-6-21(19)30-22/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,29)/p+1.
What are the key properties of [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium has a molecular weight of 402.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8555634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).