[2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium

C16H25N4O3+ — CID 8717805

IUPAC[2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium
SMILESCc1ccc(NC(=O)NC(=O)C[NH+](C)CC(=O)N(C)C)c(C)c1
InChIInChI=1S/C16H24N4O3/c1-11-6-7-13(12(2)8-11)17-16(23)18-14(21)9-20(5)10-15(22)19(3)4/h6-8H,9-10H2,1-5H3,(H2,17,18,21,23)/p+1
InChIKeyKKYVINTVLQSDMT-UHFFFAOYSA-O
MW321.40 g/mol
LogP-0.45
Rot. Bonds5

About [2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium

[2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium (PubChem CID 8717805) has the molecular formula C16H25N4O3+ and a molecular weight of 321.40 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium
PubChem CID8717805
Molecular FormulaC16H25N4O3+
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name[2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium
SMILESCc1ccc(NC(=O)NC(=O)C[NH+](C)CC(=O)N(C)C)c(C)c1
InChIInChI=1S/C16H24N4O3/c1-11-6-7-13(12(2)8-11)17-16(23)18-14(21)9-20(5)10-15(22)19(3)4/h6-8H,9-10H2,1-5H3,(H2,17,18,21,23)/p+1
InChIKeyKKYVINTVLQSDMT-UHFFFAOYSA-O
XLogP-0.45
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8001780
[2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8692228
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8712055
2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119913405
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711982
2-(azepan-1-ium-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 8895898
N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
CID 9221914
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
ethyl 2-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]sulfanylacetate
CID 8604529
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7889939
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 7747785
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9043120

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium (CID 8717805) is [2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium is Cc1ccc(NC(=O)NC(=O)C[NH+](C)CC(=O)N(C)C)c(C)c1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium?
The InChIKey is KKYVINTVLQSDMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N4O3/c1-11-6-7-13(12(2)8-11)17-16(23)18-14(21)9-20(5)10-15(22)19(3)4/h6-8H,9-10H2,1-5H3,(H2,17,18,21,23)/p+1.
What are the key properties of [2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium?
[2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium has a molecular weight of 321.40 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8717805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).