N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

C23H26N3O4+ — CID 8781761

IUPACN-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C23H25N3O4/c27-22(24-10-5-11-26-12-14-29-15-13-26)18-7-2-3-8-19(18)25-23(28)21-16-17-6-1-4-9-20(17)30-21/h1-4,6-9,16H,5,10-15H2,(H,24,27)(H,25,28)/p+1
InChIKeyYDRRPUASJCAAHF-UHFFFAOYSA-O
MW408.48 g/mol
LogP1.72
Rot. Bonds7

About N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 8781761) has the molecular formula C23H26N3O4+ and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID8781761
Molecular FormulaC23H26N3O4+
Molecular Weight408.48 g/mol
Exact Mass408.19
IUPAC NameN-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C23H25N3O4/c27-22(24-10-5-11-26-12-14-29-15-13-26)18-7-2-3-8-19(18)25-23(28)21-16-17-6-1-4-9-20(17)30-21/h1-4,6-9,16H,5,10-15H2,(H,24,27)(H,25,28)/p+1
InChIKeyYDRRPUASJCAAHF-UHFFFAOYSA-O
XLogP1.72
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 7258640
N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 7270325
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 6493124
N-[2-(cyclopentylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 17442222
2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7155155
N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide
CID 41448519
2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 8781757
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 2109384
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 2649687
5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide
CID 7028281
N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide
CID 43600967

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 8781761) is N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is YDRRPUASJCAAHF-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N3O4/c27-22(24-10-5-11-26-12-14-29-15-13-26)18-7-2-3-8-19(18)25-23(28)21-16-17-6-1-4-9-20(17)30-21/h1-4,6-9,16H,5,10-15H2,(H,24,27)(H,25,28)/p+1.
What are the key properties of N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8781761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).