6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

C33H34FN3O4 — CID 129091033

IUPAC6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(CC(=O)N(C)C)c(-c3cccc(C(=O)NC4(C)CC(C)C4)c3)cc12
InChIInChI=1S/C33H34FN3O4/c1-19-17-33(2,18-19)36-31(39)22-8-6-7-21(13-22)25-16-26-27(14-23(25)15-28(38)37(4)5)41-30(29(26)32(40)35-3)20-9-11-24(34)12-10-20/h6-14,16,19H,15,17-18H2,1-5H3,(H,35,40)(H,36,39)
InChIKeyBMIQLZMFGYIHRL-UHFFFAOYSA-N
MW555.65 g/mol
LogP5.81
Rot. Bonds7

About 6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 129091033) has the molecular formula C33H34FN3O4 and a molecular weight of 555.65 g/mol. Its IUPAC name is 6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
PubChem CID129091033
Molecular FormulaC33H34FN3O4
Molecular Weight555.65 g/mol
Exact Mass555.25
IUPAC Name6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(CC(=O)N(C)C)c(-c3cccc(C(=O)NC4(C)CC(C)C4)c3)cc12
InChIInChI=1S/C33H34FN3O4/c1-19-17-33(2,18-19)36-31(39)22-8-6-7-21(13-22)25-16-26-27(14-23(25)15-28(38)37(4)5)41-30(29(26)32(40)35-3)20-9-11-24(34)12-10-20/h6-14,16,19H,15,17-18H2,1-5H3,(H,35,40)(H,36,39)
InChIKeyBMIQLZMFGYIHRL-UHFFFAOYSA-N
XLogP5.81
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.65
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide 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 6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 129091033) is 6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(CC(=O)N(C)C)c(-c3cccc(C(=O)NC4(C)CC(C)C4)c3)cc12.
What is the InChIKey of 6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is BMIQLZMFGYIHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN3O4/c1-19-17-33(2,18-19)36-31(39)22-8-6-7-21(13-22)25-16-26-27(14-23(25)15-28(38)37(4)5)41-30(29(26)32(40)35-3)20-9-11-24(34)12-10-20/h6-14,16,19H,15,17-18H2,1-5H3,(H,35,40)(H,36,39).
What are the key properties of 6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 555.65 g/mol, XLogP of 5.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)-2-oxoethyl]-5-[3-[(1,3-dimethylcyclobutyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 129091033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).