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

C18H28N3O3+ — CID 7034625

IUPACN-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c(C)c1
InChIInChI=1S/C18H27N3O3/c1-13-11-14(2)16(15(3)12-13)20-18(23)17(22)19-5-4-6-21-7-9-24-10-8-21/h11-12H,4-10H2,1-3H3,(H,19,22)(H,20,23)/p+1
InChIKeyUSWSAXZSZABANQ-UHFFFAOYSA-O
MW334.44 g/mol
LogP-0.03
Rot. Bonds5

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

N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 7034625) has the molecular formula C18H28N3O3+ and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID7034625
Molecular FormulaC18H28N3O3+
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c(C)c1
InChIInChI=1S/C18H27N3O3/c1-13-11-14(2)16(15(3)12-13)20-18(23)17(22)19-5-4-6-21-7-9-24-10-8-21/h11-12H,4-10H2,1-3H3,(H,19,22)(H,20,23)/p+1
InChIKeyUSWSAXZSZABANQ-UHFFFAOYSA-O
XLogP-0.03
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 5-0.03
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'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
CID 2291522
4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide
CID 6942433
N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512188
N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 2201388
N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2184720
N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
CID 3100446
1-(4-bromo-2-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 7210075
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 9402813
N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
CID 2215815
N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291222
N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7585524

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide (CID 7034625) is N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c(C)c1.
What is the InChIKey of N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is USWSAXZSZABANQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27N3O3/c1-13-11-14(2)16(15(3)12-13)20-18(23)17(22)19-5-4-6-21-7-9-24-10-8-21/h11-12H,4-10H2,1-3H3,(H,19,22)(H,20,23)/p+1.
What are the key properties of N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide?
N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 334.44 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 7034625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).