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

C24H27N3O2 — CID 71194814

IUPACN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)o1)c1ccc(N2CCC(N(C)C)C2)cc1
InChIInChI=1S/C24H27N3O2/c1-25(2)21-15-16-27(17-21)20-11-9-19(10-12-20)26(3)24(28)23-14-13-22(29-23)18-7-5-4-6-8-18/h4-14,21H,15-17H2,1-3H3
InChIKeyRPXOBMODBBGIOG-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.36
Rot. Bonds5

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

N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide (PubChem CID 71194814) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide
PubChem CID71194814
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)o1)c1ccc(N2CCC(N(C)C)C2)cc1
InChIInChI=1S/C24H27N3O2/c1-25(2)21-15-16-27(17-21)20-11-9-19(10-12-20)26(3)24(28)23-14-13-22(29-23)18-7-5-4-6-8-18/h4-14,21H,15-17H2,1-3H3
InChIKeyRPXOBMODBBGIOG-UHFFFAOYSA-N
XLogP4.36
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide?
The IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide (CID 71194814) is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide?
The canonical SMILES for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide is CN(C(=O)c1ccc(-c2ccccc2)o1)c1ccc(N2CCC(N(C)C)C2)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide?
The InChIKey is RPXOBMODBBGIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-25(2)21-15-16-27(17-21)20-11-9-19(10-12-20)26(3)24(28)23-14-13-22(29-23)18-7-5-4-6-8-18/h4-14,21H,15-17H2,1-3H3.
What are the key properties of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide?
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-N-methyl-5-phenylfuran-2-carboxamide is sourced from PubChem (CID 71194814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).