[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium

C23H31N4O3+ — CID 8768897

IUPAC[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C23H30N4O3/c1-23(2,3)26-21(29)16-27(4)15-20(28)25-19-13-9-8-12-18(19)22(30)24-14-17-10-6-5-7-11-17/h5-13H,14-16H2,1-4H3,(H,24,30)(H,25,28)(H,26,29)/p+1
InChIKeyYMWUEXRUGAZWTK-UHFFFAOYSA-O
MW411.53 g/mol
LogP0.98
Rot. Bonds8

About [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium

[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium (PubChem CID 8768897) has the molecular formula C23H31N4O3+ and a molecular weight of 411.53 g/mol. Its IUPAC name is [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
PubChem CID8768897
Molecular FormulaC23H31N4O3+
Molecular Weight411.53 g/mol
Exact Mass411.24
IUPAC Name[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C23H30N4O3/c1-23(2,3)26-21(29)16-27(4)15-20(28)25-19-13-9-8-12-18(19)22(30)24-14-17-10-6-5-7-11-17/h5-13H,14-16H2,1-4H3,(H,24,30)(H,25,28)(H,26,29)/p+1
InChIKeyYMWUEXRUGAZWTK-UHFFFAOYSA-O
XLogP0.98
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8756671
[2-(2-benzylsulfanylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
CID 8768505
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate
CID 9015181
N-benzyl-2-(2-methylanilino)benzamide
CID 23737672
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
[2-(tert-butylamino)-2-oxoethyl]-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]-methylazanium
CID 8766730
N-benzyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119679545
N-benzyl-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 92646177
N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 3656947
N-benzyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119679544
N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide
CID 22137650

Frequently Asked Questions

What is the IUPAC name of [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium (CID 8768897) is [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium?
The InChIKey is YMWUEXRUGAZWTK-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H30N4O3/c1-23(2,3)26-21(29)16-27(4)15-20(28)25-19-13-9-8-12-18(19)22(30)24-14-17-10-6-5-7-11-17/h5-13H,14-16H2,1-4H3,(H,24,30)(H,25,28)(H,26,29)/p+1.
What are the key properties of [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium?
[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium has a molecular weight of 411.53 g/mol, XLogP of 0.98, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8768897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).