N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide

C16H24N3O3+ — CID 2201388

IUPACN'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC[NH+]2CCOCC2)cc1C
InChIInChI=1S/C16H23N3O3/c1-12-3-4-14(11-13(12)2)18-16(21)15(20)17-5-6-19-7-9-22-10-8-19/h3-4,11H,5-10H2,1-2H3,(H,17,20)(H,18,21)/p+1
InChIKeyJDFJFQYRCOAEHY-UHFFFAOYSA-O
MW306.39 g/mol
LogP-0.73
Rot. Bonds4

About N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide

N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide (PubChem CID 2201388) has the molecular formula C16H24N3O3+ and a molecular weight of 306.39 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
PubChem CID2201388
Molecular FormulaC16H24N3O3+
Molecular Weight306.39 g/mol
Exact Mass306.18
IUPAC NameN'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC[NH+]2CCOCC2)cc1C
InChIInChI=1S/C16H23N3O3/c1-12-3-4-14(11-13(12)2)18-16(21)15(20)17-5-6-19-7-9-22-10-8-19/h3-4,11H,5-10H2,1-2H3,(H,17,20)(H,18,21)/p+1
InChIKeyJDFJFQYRCOAEHY-UHFFFAOYSA-O
XLogP-0.73
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide 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

N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 3421987
N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7585524
N'-(3,4-dimethylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethyl]oxamide
CID 2585512
N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7160825
N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 7034625
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
CID 2291522
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
1-(4-methyl-3-nitrophenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8620193
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4753621
N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 9402813
2-hydrazinyl-N-(2-morpholin-4-ium-4-ylethyl)-2-oxoacetamide
CID 7405671

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide (CID 2201388) is N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCOCC2)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
The InChIKey is JDFJFQYRCOAEHY-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23N3O3/c1-12-3-4-14(11-13(12)2)18-16(21)15(20)17-5-6-19-7-9-22-10-8-19/h3-4,11H,5-10H2,1-2H3,(H,17,20)(H,18,21)/p+1.
What are the key properties of N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide has a molecular weight of 306.39 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide is sourced from PubChem (CID 2201388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).