N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide

C23H25N3O3 — CID 58866897

IUPACN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3ccc(Oc4ccccc4)o3)cc2)C1
InChIInChI=1S/C23H25N3O3/c1-25(2)19-14-15-26(16-19)18-10-8-17(9-11-18)24-23(27)21-12-13-22(29-21)28-20-6-4-3-5-7-20/h3-13,19H,14-16H2,1-2H3,(H,24,27)
InChIKeyCWBMYBPILNNYAM-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.46
Rot. Bonds6

About N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide

N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide (PubChem CID 58866897) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide
PubChem CID58866897
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3ccc(Oc4ccccc4)o3)cc2)C1
InChIInChI=1S/C23H25N3O3/c1-25(2)19-14-15-26(16-19)18-10-8-17(9-11-18)24-23(27)21-12-13-22(29-21)28-20-6-4-3-5-7-20/h3-13,19H,14-16H2,1-2H3,(H,24,27)
InChIKeyCWBMYBPILNNYAM-UHFFFAOYSA-N
XLogP4.46
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-fluorobenzoyl)furan-2-carboxamide
CID 58867676
4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2-fluoro-4-phenoxybenzamide
CID 21105606
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 142931412
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-phenoxy-3-(trifluoromethyl)benzamide
CID 58867681
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 58867127
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-[(5E)-7,7,7-trifluoro-3-methylhepta-1,5-dien-4-yl]furan-2-carboxamide;ethane
CID 142931076
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[(6-methyl-4,5-dihydropyridazin-3-yl)oxy]benzamide
CID 90751752
4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867523
2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
CID 67147914
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-phenylethynyl)pyridine-3-carboxamide
CID 58866923
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 21105613

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide?
The IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide (CID 58866897) is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide?
The canonical SMILES for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide is CN(C)C1CCN(c2ccc(NC(=O)c3ccc(Oc4ccccc4)o3)cc2)C1.
What is the InChIKey of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide?
The InChIKey is CWBMYBPILNNYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-25(2)19-14-15-26(16-19)18-10-8-17(9-11-18)24-23(27)21-12-13-22(29-21)28-20-6-4-3-5-7-20/h3-13,19H,14-16H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide?
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide is sourced from PubChem (CID 58866897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).