methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium

C19H24N3O2+ — CID 8007094

IUPACmethyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-7-9-16(10-8-14)20-18(23)12-22(3)13-19(24)21-17-6-4-5-15(2)11-17/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,24)/p+1
InChIKeyKMCZIVVHDYXJGF-UHFFFAOYSA-O
MW326.42 g/mol
LogP1.40
Rot. Bonds6

About methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium

methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium (PubChem CID 8007094) has the molecular formula C19H24N3O2+ and a molecular weight of 326.42 g/mol. Its IUPAC name is methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
PubChem CID8007094
Molecular FormulaC19H24N3O2+
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Namemethyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-7-9-16(10-8-14)20-18(23)12-22(3)13-19(24)21-17-6-4-5-15(2)11-17/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,24)/p+1
InChIKeyKMCZIVVHDYXJGF-UHFFFAOYSA-O
XLogP1.40
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588768
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium
CID 8011340
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729153
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
[2-(3-bromoanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024743
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8555634
[2-(2,5-dimethylanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2714120
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2698061
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
CID 8729190
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[2-(4-chloroanilino)-2-oxoethyl]-methylazanium
CID 2699212

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium (CID 8007094) is methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium?
The InChIKey is KMCZIVVHDYXJGF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O2/c1-14-7-9-16(10-8-14)20-18(23)12-22(3)13-19(24)21-17-6-4-5-15(2)11-17/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium?
methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium has a molecular weight of 326.42 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8007094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).