N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide

C16H25N4O3+ — CID 7585524

IUPACN'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H24N4O3/c1-19(2)14-5-3-13(4-6-14)18-16(22)15(21)17-7-8-20-9-11-23-12-10-20/h3-6H,7-12H2,1-2H3,(H,17,21)(H,18,22)/p+1
InChIKeyJXFVBCOKKIUPSB-UHFFFAOYSA-O
MW321.40 g/mol
LogP-1.28
Rot. Bonds5

About N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide

N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide (PubChem CID 7585524) has the molecular formula C16H25N4O3+ and a molecular weight of 321.40 g/mol. Its IUPAC name is N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide
PubChem CID7585524
Molecular FormulaC16H25N4O3+
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H24N4O3/c1-19(2)14-5-3-13(4-6-14)18-16(22)15(21)17-7-8-20-9-11-23-12-10-20/h3-6H,7-12H2,1-2H3,(H,17,21)(H,18,22)/p+1
InChIKeyJXFVBCOKKIUPSB-UHFFFAOYSA-O
XLogP-1.28
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 2201388
N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7160825
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4753621
N'-[4-(dimethylamino)phenyl]-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]oxamide
CID 7644820
2-hydrazinyl-N-(2-morpholin-4-ium-4-ylethyl)-2-oxoacetamide
CID 7405671
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
CID 2291522
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585522
N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 9402813
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7644906
1-(4-ethylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea
CID 8618793
1-(2-morpholin-4-ium-4-ylethyl)-3-(4-nitrophenyl)thiourea
CID 7066388

Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
The IUPAC name of N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide (CID 7585524) is N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide.
What is the SMILES notation for N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
The canonical SMILES for N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide is CN(C)c1ccc(NC(=O)C(=O)NCC[NH+]2CCOCC2)cc1.
What is the InChIKey of N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
The InChIKey is JXFVBCOKKIUPSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N4O3/c1-19(2)14-5-3-13(4-6-14)18-16(22)15(21)17-7-8-20-9-11-23-12-10-20/h3-6H,7-12H2,1-2H3,(H,17,21)(H,18,22)/p+1.
What are the key properties of N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide has a molecular weight of 321.40 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide is sourced from PubChem (CID 7585524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).