N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide

C31H38FN3O2 — CID 154688041

IUPACN-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide
SMILESCCCCN(CC)Cc1ccc(CNC(=O)CCCc2cn(Cc3ccccc3F)c3ccccc23)o1
InChIInChI=1S/C31H38FN3O2/c1-3-5-19-34(4-2)23-27-18-17-26(37-27)20-33-31(36)16-10-12-24-21-35(30-15-9-7-13-28(24)30)22-25-11-6-8-14-29(25)32/h6-9,11,13-15,17-18,21H,3-5,10,12,16,19-20,22-23H2,1-2H3,(H,33,36)
InChIKeyLYLKLKIZRCDPAM-UHFFFAOYSA-N
MW503.66 g/mol
LogP6.68
Rot. Bonds14

About N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide

N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide (PubChem CID 154688041) has the molecular formula C31H38FN3O2 and a molecular weight of 503.66 g/mol. Its IUPAC name is N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide.

Molecular Properties

Compound NameN-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide
PubChem CID154688041
Molecular FormulaC31H38FN3O2
Molecular Weight503.66 g/mol
Exact Mass503.29
IUPAC NameN-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide
SMILESCCCCN(CC)Cc1ccc(CNC(=O)CCCc2cn(Cc3ccccc3F)c3ccccc23)o1
InChIInChI=1S/C31H38FN3O2/c1-3-5-19-34(4-2)23-27-18-17-26(37-27)20-33-31(36)16-10-12-24-21-35(30-15-9-7-13-28(24)30)22-25-11-6-8-14-29(25)32/h6-9,11,13-15,17-18,21H,3-5,10,12,16,19-20,22-23H2,1-2H3,(H,33,36)
InChIKeyLYLKLKIZRCDPAM-UHFFFAOYSA-N
XLogP6.68
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.66
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide?
The IUPAC name of N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide (CID 154688041) is N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide.
What is the SMILES notation for N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide?
The canonical SMILES for N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide is CCCCN(CC)Cc1ccc(CNC(=O)CCCc2cn(Cc3ccccc3F)c3ccccc23)o1.
What is the InChIKey of N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide?
The InChIKey is LYLKLKIZRCDPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38FN3O2/c1-3-5-19-34(4-2)23-27-18-17-26(37-27)20-33-31(36)16-10-12-24-21-35(30-15-9-7-13-28(24)30)22-25-11-6-8-14-29(25)32/h6-9,11,13-15,17-18,21H,3-5,10,12,16,19-20,22-23H2,1-2H3,(H,33,36).
What are the key properties of N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide?
N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide has a molecular weight of 503.66 g/mol, XLogP of 6.68, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide is sourced from PubChem (CID 154688041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).