N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide

C22H26N3O5+ — CID 2215815

IUPACN'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
SMILESCOc1cc2c(cc1NC(=O)C(=O)NCCC[NH+]1CCOCC1)oc1ccccc12
InChIInChI=1S/C22H25N3O5/c1-28-20-13-16-15-5-2-3-6-18(15)30-19(16)14-17(20)24-22(27)21(26)23-7-4-8-25-9-11-29-12-10-25/h2-3,5-6,13-14H,4,7-12H2,1H3,(H,23,26)(H,24,27)/p+1
InChIKeyGBFGGLXHSOARSB-UHFFFAOYSA-O
MW412.47 g/mol
LogP0.95
Rot. Bonds6

About N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide

N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide (PubChem CID 2215815) has the molecular formula C22H26N3O5+ and a molecular weight of 412.47 g/mol. Its IUPAC name is N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
PubChem CID2215815
Molecular FormulaC22H26N3O5+
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC NameN'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
SMILESCOc1cc2c(cc1NC(=O)C(=O)NCCC[NH+]1CCOCC1)oc1ccccc12
InChIInChI=1S/C22H25N3O5/c1-28-20-13-16-15-5-2-3-6-18(15)30-19(16)14-17(20)24-22(27)21(26)23-7-4-8-25-9-11-29-12-10-25/h2-3,5-6,13-14H,4,7-12H2,1H3,(H,23,26)(H,24,27)/p+1
InChIKeyGBFGGLXHSOARSB-UHFFFAOYSA-O
XLogP0.95
TPSA94.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
(2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2462122
1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea
CID 8627344
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
CID 2291522
2-hydroxy-N-(2-methoxydibenzofuran-3-yl)cyclopentane-1-carboxamide
CID 110013791
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 7034625
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55696455
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide
CID 2219830
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3873495

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide?
The IUPAC name of N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide (CID 2215815) is N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide?
The canonical SMILES for N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide is COc1cc2c(cc1NC(=O)C(=O)NCCC[NH+]1CCOCC1)oc1ccccc12.
What is the InChIKey of N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide?
The InChIKey is GBFGGLXHSOARSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25N3O5/c1-28-20-13-16-15-5-2-3-6-18(15)30-19(16)14-17(20)24-22(27)21(26)23-7-4-8-25-9-11-29-12-10-25/h2-3,5-6,13-14H,4,7-12H2,1H3,(H,23,26)(H,24,27)/p+1.
What are the key properties of N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide?
N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide has a molecular weight of 412.47 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide is sourced from PubChem (CID 2215815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).