[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium

C18H29ClN3O2+ — CID 8791722

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium
SMILESCCC[C@@H](C)NC(=O)C[NH+](CC)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C18H28ClN3O2/c1-5-7-14(4)20-17(23)11-22(6-2)12-18(24)21-16-10-15(19)9-8-13(16)3/h8-10,14H,5-7,11-12H2,1-4H3,(H,20,23)(H,21,24)/p+1/t14-/m1/s1
InChIKeyOKZRWFBVHLIBOH-CQSZACIVSA-O
MW354.90 g/mol
LogP1.80
Rot. Bonds9

About [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium

[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium (PubChem CID 8791722) has the molecular formula C18H29ClN3O2+ and a molecular weight of 354.90 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium
PubChem CID8791722
Molecular FormulaC18H29ClN3O2+
Molecular Weight354.90 g/mol
Exact Mass354.19
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium
SMILESCCC[C@@H](C)NC(=O)C[NH+](CC)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C18H28ClN3O2/c1-5-7-14(4)20-17(23)11-22(6-2)12-18(24)21-16-10-15(19)9-8-13(16)3/h8-10,14H,5-7,11-12H2,1-4H3,(H,20,23)(H,21,24)/p+1/t14-/m1/s1
InChIKeyOKZRWFBVHLIBOH-CQSZACIVSA-O
XLogP1.80
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium with MolForge

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Related Compounds

[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8791716
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780418
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8780392
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium
CID 8791833
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780428
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-ethylazanium
CID 8780492
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]azanium
CID 8780465
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-ethylazanium
CID 11933392
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9038373
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-ethylazanium
CID 8791807

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium (CID 8791722) is [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium is CCC[C@@H](C)NC(=O)C[NH+](CC)CC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium?
The InChIKey is OKZRWFBVHLIBOH-CQSZACIVSA-O. The full InChI is InChI=1S/C18H28ClN3O2/c1-5-7-14(4)20-17(23)11-22(6-2)12-18(24)21-16-10-15(19)9-8-13(16)3/h8-10,14H,5-7,11-12H2,1-4H3,(H,20,23)(H,21,24)/p+1/t14-/m1/s1.
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium?
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium has a molecular weight of 354.90 g/mol, XLogP of 1.80, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium is sourced from PubChem (CID 8791722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).