[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium

C23H32N3O2+ — CID 9038856

IUPAC[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccccc1C)CC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C23H31N3O2/c1-5-14-26(15-22(27)24-20-12-8-6-10-18(20)4)16-23(28)25-21-13-9-7-11-19(21)17(2)3/h6-13,17H,5,14-16H2,1-4H3,(H,24,27)(H,25,28)/p+1
InChIKeyFGRADLOMDFIXNC-UHFFFAOYSA-O
MW382.53 g/mol
LogP2.99
Rot. Bonds9

About [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium

[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium (PubChem CID 9038856) has the molecular formula C23H32N3O2+ and a molecular weight of 382.53 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium
PubChem CID9038856
Molecular FormulaC23H32N3O2+
Molecular Weight382.53 g/mol
Exact Mass382.25
IUPAC Name[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccccc1C)CC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C23H31N3O2/c1-5-14-26(15-22(27)24-20-12-8-6-10-18(20)4)16-23(28)25-21-13-9-7-11-19(21)17(2)3/h6-13,17H,5,14-16H2,1-4H3,(H,24,27)(H,25,28)/p+1
InChIKeyFGRADLOMDFIXNC-UHFFFAOYSA-O
XLogP2.99
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium
CID 8810025
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9038373
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8780392
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8541329
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9039158
N-(2-propan-2-ylphenyl)propanamide
CID 723442
[2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium
CID 9348062
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8810091
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780428

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium (CID 9038856) is [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium is CCC[NH+](CC(=O)Nc1ccccc1C)CC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium?
The InChIKey is FGRADLOMDFIXNC-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H31N3O2/c1-5-14-26(15-22(27)24-20-12-8-6-10-18(20)4)16-23(28)25-21-13-9-7-11-19(21)17(2)3/h6-13,17H,5,14-16H2,1-4H3,(H,24,27)(H,25,28)/p+1.
What are the key properties of [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium?
[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium has a molecular weight of 382.53 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium is sourced from PubChem (CID 9038856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).