N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide

C25H27N3O4 — CID 55737258

IUPACN-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C25H27N3O4/c29-24(26-20-8-2-3-9-21(20)27-25(30)28-13-5-6-14-28)16-31-17-11-12-23-19(15-17)18-7-1-4-10-22(18)32-23/h2-3,8-9,11-12,15H,1,4-7,10,13-14,16H2,(H,26,29)(H,27,30)
InChIKeyBNSXEYAAFSNWQK-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.96
Rot. Bonds5

About N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide

N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 55737258) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID55737258
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C25H27N3O4/c29-24(26-20-8-2-3-9-21(20)27-25(30)28-13-5-6-14-28)16-31-17-11-12-23-19(15-17)18-7-1-4-10-22(18)32-23/h2-3,8-9,11-12,15H,1,4-7,10,13-14,16H2,(H,26,29)(H,27,30)
InChIKeyBNSXEYAAFSNWQK-UHFFFAOYSA-N
XLogP4.96
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 16566350
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 55801298
N-(4-chloro-2-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 7914664
N-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 3772122
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426
N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8712821
N-(4-chloro-2,5-dimethoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8501525
N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide
CID 24896972
N-(pyridin-2-ylmethyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8880601
N-(4-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8840330
N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 26722849
N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide
CID 16589772

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide (CID 55737258) is N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide is O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1NC(=O)N1CCCC1.
What is the InChIKey of N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is BNSXEYAAFSNWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-24(26-20-8-2-3-9-21(20)27-25(30)28-13-5-6-14-28)16-31-17-11-12-23-19(15-17)18-7-1-4-10-22(18)32-23/h2-3,8-9,11-12,15H,1,4-7,10,13-14,16H2,(H,26,29)(H,27,30).
What are the key properties of N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 55737258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).