N-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide

C22H25N3O4 — CID 156821500

IUPACN-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide
SMILESCC(=O)N(C(=O)C(C)(C)C)c1cnc(Oc2ccc(C)c3c2C2(CC2)CO3)cn1
InChIInChI=1S/C22H25N3O4/c1-13-6-7-15(18-19(13)28-12-22(18)8-9-22)29-17-11-23-16(10-24-17)25(14(2)26)20(27)21(3,4)5/h6-7,10-11H,8-9,12H2,1-5H3
InChIKeyFJAYNZIFBSHBTA-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.93
Rot. Bonds3

About N-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide

N-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide (PubChem CID 156821500) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide.

Molecular Properties

Compound NameN-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide
PubChem CID156821500
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide
SMILESCC(=O)N(C(=O)C(C)(C)C)c1cnc(Oc2ccc(C)c3c2C2(CC2)CO3)cn1
InChIInChI=1S/C22H25N3O4/c1-13-6-7-15(18-19(13)28-12-22(18)8-9-22)29-17-11-23-16(10-24-17)25(14(2)26)20(27)21(3,4)5/h6-7,10-11H,8-9,12H2,1-5H3
InChIKeyFJAYNZIFBSHBTA-UHFFFAOYSA-N
XLogP3.93
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide?
The IUPAC name of N-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide (CID 156821500) is N-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide.
What is the SMILES notation for N-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide?
The canonical SMILES for N-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide is CC(=O)N(C(=O)C(C)(C)C)c1cnc(Oc2ccc(C)c3c2C2(CC2)CO3)cn1.
What is the InChIKey of N-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide?
The InChIKey is FJAYNZIFBSHBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-13-6-7-15(18-19(13)28-12-22(18)8-9-22)29-17-11-23-16(10-24-17)25(14(2)26)20(27)21(3,4)5/h6-7,10-11H,8-9,12H2,1-5H3.
What are the key properties of N-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide?
N-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide has a molecular weight of 395.46 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2,2-dimethyl-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrazin-2-yl]propanamide is sourced from PubChem (CID 156821500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).