N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

C27H34N2O2 — CID 21047933

IUPACN-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Cc3c(C)c(C)c(C)c(C)c3C)o2)cc1
InChIInChI=1S/C27H34N2O2/c1-8-29(9-2)23-12-10-22(11-13-23)28-27(30)26-15-14-24(31-26)16-25-20(6)18(4)17(3)19(5)21(25)7/h10-15H,8-9,16H2,1-7H3,(H,28,30)
InChIKeyJFXFLOICMAHCSF-UHFFFAOYSA-N
MW418.58 g/mol
LogP6.51
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21047933) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
PubChem CID21047933
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC NameN-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Cc3c(C)c(C)c(C)c(C)c3C)o2)cc1
InChIInChI=1S/C27H34N2O2/c1-8-29(9-2)23-12-10-22(11-13-23)28-27(30)26-15-14-24(31-26)16-25-20(6)18(4)17(3)19(5)21(25)7/h10-15H,8-9,16H2,1-7H3,(H,28,30)
InChIKeyJFXFLOICMAHCSF-UHFFFAOYSA-N
XLogP6.51
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047479
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465788
N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 2165261
N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4281117
N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047425
N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047673
N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047779
N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383889
N-[4-(diethylamino)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455393
5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide
CID 106685549

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (CID 21047933) is N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(Cc3c(C)c(C)c(C)c(C)c3C)o2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The InChIKey is JFXFLOICMAHCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-8-29(9-2)23-12-10-22(11-13-23)28-27(30)26-15-14-24(31-26)16-25-20(6)18(4)17(3)19(5)21(25)7/h10-15H,8-9,16H2,1-7H3,(H,28,30).
What are the key properties of N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 418.58 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).