2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide

C23H25N3O3 — CID 153359621

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide
SMILESCC1=CC(C)C(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2cccnc2)=N1
InChIInChI=1S/C23H25N3O3/c1-15-11-16(2)25-22(15)26(18-8-6-10-24-13-18)20(27)14-28-19-9-5-7-17-12-23(3,4)29-21(17)19/h5-11,13,15H,12,14H2,1-4H3
InChIKeyDEPJUZSSFOQZKS-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.16
Rot. Bonds4

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide (PubChem CID 153359621) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide
PubChem CID153359621
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide
SMILESCC1=CC(C)C(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2cccnc2)=N1
InChIInChI=1S/C23H25N3O3/c1-15-11-16(2)25-22(15)26(18-8-6-10-24-13-18)20(27)14-28-19-9-5-7-17-12-23(3,4)29-21(17)19/h5-11,13,15H,12,14H2,1-4H3
InChIKeyDEPJUZSSFOQZKS-UHFFFAOYSA-N
XLogP4.16
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-di(propan-2-yl)acetamide
CID 8551057
N-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
CID 55412313
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-phenylacetamide
CID 8551594
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 147193830
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-bis(2-methylpropyl)acetamide
CID 8551074
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-2-ylmethyl)acetamide
CID 149465209
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide
CID 147799726
N-(6-chloropyridazin-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylacetamide
CID 151909001
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249402
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91817154
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579593
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 8551244

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide (CID 153359621) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide is CC1=CC(C)C(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2cccnc2)=N1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide?
The InChIKey is DEPJUZSSFOQZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-11-16(2)25-22(15)26(18-8-6-10-24-13-18)20(27)14-28-19-9-5-7-17-12-23(3,4)29-21(17)19/h5-11,13,15H,12,14H2,1-4H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide has a molecular weight of 391.47 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,5-dimethyl-3H-pyrrol-2-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 153359621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).