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

C20H24N3O3+ — CID 8588768

IUPAC[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCC(=O)c1cccc(NC(=O)C[NH+](C)CC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-14-7-9-17(10-8-14)21-19(25)12-23(3)13-20(26)22-18-6-4-5-16(11-18)15(2)24/h4-11H,12-13H2,1-3H3,(H,21,25)(H,22,26)/p+1
InChIKeyKXWXDOWGZXQZSJ-UHFFFAOYSA-O
MW354.43 g/mol
LogP1.29
Rot. Bonds7

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

[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (PubChem CID 8588768) has the molecular formula C20H24N3O3+ and a molecular weight of 354.43 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
PubChem CID8588768
Molecular FormulaC20H24N3O3+
Molecular Weight354.43 g/mol
Exact Mass354.18
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCC(=O)c1cccc(NC(=O)C[NH+](C)CC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-14-7-9-17(10-8-14)21-19(25)12-23(3)13-20(26)22-18-6-4-5-16(11-18)15(2)24/h4-11H,12-13H2,1-3H3,(H,21,25)(H,22,26)/p+1
InChIKeyKXWXDOWGZXQZSJ-UHFFFAOYSA-O
XLogP1.29
TPSA79.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8007094
[2-(3-acetylanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250573
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197745
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 9057793
[2-(3-bromoanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024743
[2-(3-acetylanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8550166
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
N-(3-acetylphenyl)propanamide
CID 903063
(5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588168

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (CID 8588768) is [2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is CC(=O)c1cccc(NC(=O)C[NH+](C)CC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The InChIKey is KXWXDOWGZXQZSJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23N3O3/c1-14-7-9-17(10-8-14)21-19(25)12-23(3)13-20(26)22-18-6-4-5-16(11-18)15(2)24/h4-11H,12-13H2,1-3H3,(H,21,25)(H,22,26)/p+1.
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium has a molecular weight of 354.43 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8588768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).