[2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium

C17H24ClN4O2+ — CID 8018484

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H23ClN4O2/c1-5-22(11-16(24)21-17(2,3)4)10-15(23)20-13-7-6-12(9-19)14(18)8-13/h6-8H,5,10-11H2,1-4H3,(H,20,23)(H,21,24)/p+1
InChIKeyALDSDAIKNKWZLV-UHFFFAOYSA-O
MW351.86 g/mol
LogP0.97
Rot. Bonds6

About [2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium

[2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium (PubChem CID 8018484) has the molecular formula C17H24ClN4O2+ and a molecular weight of 351.86 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium
PubChem CID8018484
Molecular FormulaC17H24ClN4O2+
Molecular Weight351.86 g/mol
Exact Mass351.16
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H23ClN4O2/c1-5-22(11-16(24)21-17(2,3)4)10-15(23)20-13-7-6-12(9-19)14(18)8-13/h6-8H,5,10-11H2,1-4H3,(H,20,23)(H,21,24)/p+1
InChIKeyALDSDAIKNKWZLV-UHFFFAOYSA-O
XLogP0.97
TPSA86.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium with MolForge

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium
CID 8796507
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
CID 8692666
1-(3-chloro-4-cyanophenyl)-3-ethylurea
CID 115569840
2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 55893081
2-[(3-chloro-4-cyanophenyl)carbamoylamino]-2-methylpropanoic acid
CID 61266932
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086
N-(3-chloro-4-cyanophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877420
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
3-amino-N-(3-chloro-4-cyanophenyl)-2,2,3-trimethylbutanamide
CID 65264787
N-(3-chloro-4-cyanophenyl)-3-methyl-5-oxohexanamide
CID 144704139
2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide
CID 79463983
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782364

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium (CID 8018484) is [2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium?
The InChIKey is ALDSDAIKNKWZLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23ClN4O2/c1-5-22(11-16(24)21-17(2,3)4)10-15(23)20-13-7-6-12(9-19)14(18)8-13/h6-8H,5,10-11H2,1-4H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium has a molecular weight of 351.86 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8018484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).