N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide

C17H26N3O3+ — CID 2291522

IUPACN'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)NCCC[NH+]1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-13-5-3-6-14(2)15(13)19-17(22)16(21)18-7-4-8-20-9-11-23-12-10-20/h3,5-6H,4,7-12H2,1-2H3,(H,18,21)(H,19,22)/p+1
InChIKeyZGIHHQRIILGBKI-UHFFFAOYSA-O
MW320.41 g/mol
LogP-0.34
Rot. Bonds5

About N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide

N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide (PubChem CID 2291522) has the molecular formula C17H26N3O3+ and a molecular weight of 320.41 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
PubChem CID2291522
Molecular FormulaC17H26N3O3+
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC NameN'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)NCCC[NH+]1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-13-5-3-6-14(2)15(13)19-17(22)16(21)18-7-4-8-20-9-11-23-12-10-20/h3,5-6H,4,7-12H2,1-2H3,(H,18,21)(H,19,22)/p+1
InChIKeyZGIHHQRIILGBKI-UHFFFAOYSA-O
XLogP-0.34
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 7034625
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
N-(2,6-dimethylphenyl)-2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)acetamide
CID 8790841
N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 2201388
5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide
CID 7028281
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7160825
N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
CID 2215815
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
CID 43834667
N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 9402813
N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7585524
1-(4-bromo-2-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 7210075

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide (CID 2291522) is N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide is Cc1cccc(C)c1NC(=O)C(=O)NCCC[NH+]1CCOCC1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide?
The InChIKey is ZGIHHQRIILGBKI-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3O3/c1-13-5-3-6-14(2)15(13)19-17(22)16(21)18-7-4-8-20-9-11-23-12-10-20/h3,5-6H,4,7-12H2,1-2H3,(H,18,21)(H,19,22)/p+1.
What are the key properties of N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide?
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide has a molecular weight of 320.41 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide is sourced from PubChem (CID 2291522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).