[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

C20H27ClN3O3+ — CID 8810265

IUPAC[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C[NH+](C)Cc1ccc(C)o1
InChIInChI=1S/C20H26ClN3O3/c1-5-24(12-19(25)22-18-10-16(21)8-6-14(18)2)20(26)13-23(4)11-17-9-7-15(3)27-17/h6-10H,5,11-13H2,1-4H3,(H,22,25)/p+1
InChIKeyRBXRWFAMYMWQDJ-UHFFFAOYSA-O
MW392.91 g/mol
LogP2.05
Rot. Bonds8

About [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (PubChem CID 8810265) has the molecular formula C20H27ClN3O3+ and a molecular weight of 392.91 g/mol. Its IUPAC name is [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
PubChem CID8810265
Molecular FormulaC20H27ClN3O3+
Molecular Weight392.91 g/mol
Exact Mass392.17
IUPAC Name[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C[NH+](C)Cc1ccc(C)o1
InChIInChI=1S/C20H26ClN3O3/c1-5-24(12-19(25)22-18-10-16(21)8-6-14(18)2)20(26)13-23(4)11-17-9-7-15(3)27-17/h6-10H,5,11-13H2,1-4H3,(H,22,25)/p+1
InChIKeyRBXRWFAMYMWQDJ-UHFFFAOYSA-O
XLogP2.05
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium with MolForge

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Related Compounds

[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8910250
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333255
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-ethylacetamide
CID 8539829
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711982
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636423
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetamide
CID 8908053
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050657
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8793283
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9103197
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-oxochromene-3-carboxamide
CID 18112982
3-(1,3-benzodioxol-5-yl)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylpropanamide
CID 16574868

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The IUPAC name of [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (CID 8810265) is [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.
What is the SMILES notation for [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The canonical SMILES for [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C[NH+](C)Cc1ccc(C)o1.
What is the InChIKey of [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The InChIKey is RBXRWFAMYMWQDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26ClN3O3/c1-5-24(12-19(25)22-18-10-16(21)8-6-14(18)2)20(26)13-23(4)11-17-9-7-15(3)27-17/h6-10H,5,11-13H2,1-4H3,(H,22,25)/p+1.
What are the key properties of [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium has a molecular weight of 392.91 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 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]-methyl-[(5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 8810265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).