N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide

C23H28N2O3 — CID 126773633

IUPACN-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
SMILESCc1c(COC(C)C)cccc1NC(=O)N1CCC2(C1)OCc1ccccc12
InChIInChI=1S/C23H28N2O3/c1-16(2)27-13-18-8-6-10-21(17(18)3)24-22(26)25-12-11-23(15-25)20-9-5-4-7-19(20)14-28-23/h4-10,16H,11-15H2,1-3H3,(H,24,26)
InChIKeyUQDIVOGMLRBESP-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.58
Rot. Bonds4

About N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide

N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 126773633) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID126773633
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
SMILESCc1c(COC(C)C)cccc1NC(=O)N1CCC2(C1)OCc1ccccc12
InChIInChI=1S/C23H28N2O3/c1-16(2)27-13-18-8-6-10-21(17(18)3)24-22(26)25-12-11-23(15-25)20-9-5-4-7-19(20)14-28-23/h4-10,16H,11-15H2,1-3H3,(H,24,26)
InChIKeyUQDIVOGMLRBESP-UHFFFAOYSA-N
XLogP4.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-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-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 126792771
N-(5-propan-2-yl-1,2-oxazol-3-yl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 127901233
(3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 75482281
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895
2-phenylsulfanyl-1-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]ethanone
CID 124618956
N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide
CID 126795764
1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea
CID 71991924
(3S)-N-(2-imidazol-1-ylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 124617607
N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide
CID 127897418
N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 127902707
N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
CID 10131986
methyl 5-(1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)furan-2-carboxylate
CID 146086787

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide (CID 126773633) is N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide is Cc1c(COC(C)C)cccc1NC(=O)N1CCC2(C1)OCc1ccccc12.
What is the InChIKey of N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is UQDIVOGMLRBESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(2)27-13-18-8-6-10-21(17(18)3)24-22(26)25-12-11-23(15-25)20-9-5-4-7-19(20)14-28-23/h4-10,16H,11-15H2,1-3H3,(H,24,26).
What are the key properties of N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 126773633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).