[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

C19H28ClN4O3+ — CID 8910250

IUPAC[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C19H27ClN4O3/c1-4-24(11-18(26)22-16-9-14(20)6-5-13(16)2)19(27)12-23(3)10-17(25)21-15-7-8-15/h5-6,9,15H,4,7-8,10-12H2,1-3H3,(H,21,25)(H,22,26)/p+1
InChIKeyCKTOTGYPSVFEMB-UHFFFAOYSA-O
MW395.91 g/mol
LogP0.23
Rot. Bonds9

About [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (PubChem CID 8910250) has the molecular formula C19H28ClN4O3+ and a molecular weight of 395.91 g/mol. Its IUPAC name is [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
PubChem CID8910250
Molecular FormulaC19H28ClN4O3+
Molecular Weight395.91 g/mol
Exact Mass395.18
IUPAC Name[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C19H27ClN4O3/c1-4-24(11-18(26)22-16-9-14(20)6-5-13(16)2)19(27)12-23(3)10-17(25)21-15-7-8-15/h5-6,9,15H,4,7-8,10-12H2,1-3H3,(H,21,25)(H,22,26)/p+1
InChIKeyCKTOTGYPSVFEMB-UHFFFAOYSA-O
XLogP0.23
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810265
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711982
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-ethylacetamide
CID 8539829
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053133
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636423
ethyl (3R)-1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8560305
(3S)-1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 8544223
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050657
3-(1,3-benzodioxol-5-yl)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylpropanamide
CID 16574868
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]azanium
CID 9052711

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (CID 8910250) is [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C[NH+](C)CC(=O)NC1CC1.
What is the InChIKey of [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The InChIKey is CKTOTGYPSVFEMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27ClN4O3/c1-4-24(11-18(26)22-16-9-14(20)6-5-13(16)2)19(27)12-23(3)10-17(25)21-15-7-8-15/h5-6,9,15H,4,7-8,10-12H2,1-3H3,(H,21,25)(H,22,26)/p+1.
What are the key properties of [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium has a molecular weight of 395.91 g/mol, XLogP of 0.23, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8910250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).