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

C19H24N3O4+ — CID 7258640

IUPACN-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1ccco1
InChIInChI=1S/C19H23N3O4/c23-18(20-8-4-9-22-10-13-25-14-11-22)15-5-1-2-6-16(15)21-19(24)17-7-3-12-26-17/h1-3,5-7,12H,4,8-11,13-14H2,(H,20,23)(H,21,24)/p+1
InChIKeyZPDVFCMHBYWBHW-UHFFFAOYSA-O
MW358.42 g/mol
LogP0.57
Rot. Bonds7

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

N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 7258640) has the molecular formula C19H24N3O4+ and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID7258640
Molecular FormulaC19H24N3O4+
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1ccco1
InChIInChI=1S/C19H23N3O4/c23-18(20-8-4-9-22-10-13-25-14-11-22)15-5-1-2-6-16(15)21-19(24)17-7-3-12-26-17/h1-3,5-7,12H,4,8-11,13-14H2,(H,20,23)(H,21,24)/p+1
InChIKeyZPDVFCMHBYWBHW-UHFFFAOYSA-O
XLogP0.57
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.57
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]-1-benzofuran-2-carboxamide
CID 8781761
N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide
CID 7720034
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7155155
2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 8781757
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 17086908
1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 2109384
N-[2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24553156
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
CID 43834667
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
N-[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17440926

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide (CID 7258640) is N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1ccco1.
What is the InChIKey of N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is ZPDVFCMHBYWBHW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O4/c23-18(20-8-4-9-22-10-13-25-14-11-22)15-5-1-2-6-16(15)21-19(24)17-7-3-12-26-17/h1-3,5-7,12H,4,8-11,13-14H2,(H,20,23)(H,21,24)/p+1.
What are the key properties of N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide?
N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 0.57, 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]furan-2-carboxamide is sourced from PubChem (CID 7258640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).