[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium

C17H27N4O3+ — CID 8712336

IUPAC[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)CN(C)C(=O)C[NH+](C)CC(=O)N(C)C)cc1
InChIInChI=1S/C17H26N4O3/c1-13-6-8-14(9-7-13)18-15(22)10-21(5)17(24)12-20(4)11-16(23)19(2)3/h6-9H,10-12H2,1-5H3,(H,18,22)/p+1
InChIKeyYCIRKDDMXVWBTR-UHFFFAOYSA-O
MW335.43 g/mol
LogP-1.01
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium

[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (PubChem CID 8712336) has the molecular formula C17H27N4O3+ and a molecular weight of 335.43 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
PubChem CID8712336
Molecular FormulaC17H27N4O3+
Molecular Weight335.43 g/mol
Exact Mass335.21
IUPAC Name[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)CN(C)C(=O)C[NH+](C)CC(=O)N(C)C)cc1
InChIInChI=1S/C17H26N4O3/c1-13-6-8-14(9-7-13)18-15(22)10-21(5)17(24)12-20(4)11-16(23)19(2)3/h6-9H,10-12H2,1-5H3,(H,18,22)/p+1
InChIKeyYCIRKDDMXVWBTR-UHFFFAOYSA-O
XLogP-1.01
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

(3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9251455
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588781
[2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium
CID 8712032
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785660
[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8559275
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8695103
4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide
CID 120558863
3-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9374487
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711960
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 27226969

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (CID 8712336) is [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is Cc1ccc(NC(=O)CN(C)C(=O)C[NH+](C)CC(=O)N(C)C)cc1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The InChIKey is YCIRKDDMXVWBTR-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H26N4O3/c1-13-6-8-14(9-7-13)18-15(22)10-21(5)17(24)12-20(4)11-16(23)19(2)3/h6-9H,10-12H2,1-5H3,(H,18,22)/p+1.
What are the key properties of [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium has a molecular weight of 335.43 g/mol, XLogP of -1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8712336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).