8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one

C29H32N2O5 — CID 174839832

IUPAC8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one
SMILESCC(C)(Cc1ccc2c(c1)CCO2)NCC(O)c1cc(OCc2ccccc2)cc2c1OCC(=O)N2
InChIInChI=1S/C29H32N2O5/c1-29(2,15-20-8-9-26-21(12-20)10-11-34-26)30-16-25(32)23-13-22(35-17-19-6-4-3-5-7-19)14-24-28(23)36-18-27(33)31-24/h3-9,12-14,25,30,32H,10-11,15-18H2,1-2H3,(H,31,33)
InChIKeyZDYNELNPBIBVCN-UHFFFAOYSA-N
MW488.58 g/mol
LogP4.18
Rot. Bonds9

About 8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one

8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one (PubChem CID 174839832) has the molecular formula C29H32N2O5 and a molecular weight of 488.58 g/mol. Its IUPAC name is 8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one
PubChem CID174839832
Molecular FormulaC29H32N2O5
Molecular Weight488.58 g/mol
Exact Mass488.23
IUPAC Name8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one
SMILESCC(C)(Cc1ccc2c(c1)CCO2)NCC(O)c1cc(OCc2ccccc2)cc2c1OCC(=O)N2
InChIInChI=1S/C29H32N2O5/c1-29(2,15-20-8-9-26-21(12-20)10-11-34-26)30-16-25(32)23-13-22(35-17-19-6-4-3-5-7-19)14-24-28(23)36-18-27(33)31-24/h3-9,12-14,25,30,32H,10-11,15-18H2,1-2H3,(H,31,33)
InChIKeyZDYNELNPBIBVCN-UHFFFAOYSA-N
XLogP4.18
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one (CID 174839832) is 8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one is CC(C)(Cc1ccc2c(c1)CCO2)NCC(O)c1cc(OCc2ccccc2)cc2c1OCC(=O)N2.
What is the InChIKey of 8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one?
The InChIKey is ZDYNELNPBIBVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O5/c1-29(2,15-20-8-9-26-21(12-20)10-11-34-26)30-16-25(32)23-13-22(35-17-19-6-4-3-5-7-19)14-24-28(23)36-18-27(33)31-24/h3-9,12-14,25,30,32H,10-11,15-18H2,1-2H3,(H,31,33).
What are the key properties of 8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one?
8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one has a molecular weight of 488.58 g/mol, XLogP of 4.18, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 174839832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).