5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide

C13H21N2O3+ — CID 7028281

IUPAC5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCC[NH+]2CCOCC2)o1
InChIInChI=1S/C13H20N2O3/c1-11-3-4-12(18-11)13(16)14-5-2-6-15-7-9-17-10-8-15/h3-4H,2,5-10H2,1H3,(H,14,16)/p+1
InChIKeyOXLIJZGIYWOPLU-UHFFFAOYSA-O
MW253.32 g/mol
LogP-0.38
Rot. Bonds5

About 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide

5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide (PubChem CID 7028281) has the molecular formula C13H21N2O3+ and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide
PubChem CID7028281
Molecular FormulaC13H21N2O3+
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCC[NH+]2CCOCC2)o1
InChIInChI=1S/C13H20N2O3/c1-11-3-4-12(18-11)13(16)14-5-2-6-15-7-9-17-10-8-15/h3-4H,2,5-10H2,1H3,(H,14,16)/p+1
InChIKeyOXLIJZGIYWOPLU-UHFFFAOYSA-O
XLogP-0.38
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
CID 106843396
4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7379816
6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
CID 2291522
N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide
CID 7720034
N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 7034625
N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 7258640
N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide
CID 77036852
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
CID 43834667
N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 7270325
3,6,6-trimethyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 7372164
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide (CID 7028281) is 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide is Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)o1.
What is the InChIKey of 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide?
The InChIKey is OXLIJZGIYWOPLU-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20N2O3/c1-11-3-4-12(18-11)13(16)14-5-2-6-15-7-9-17-10-8-15/h3-4H,2,5-10H2,1H3,(H,14,16)/p+1.
What are the key properties of 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide?
5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide has a molecular weight of 253.32 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 7028281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).