N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide

C24H27NO6 — CID 163379368

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OC(CO)c3ccccc3)cc2c1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C24H27NO6/c1-16-22(23(28)25-24(15-27)9-11-29-12-10-24)19-13-18(7-8-20(19)30-16)31-21(14-26)17-5-3-2-4-6-17/h2-8,13,21,26-27H,9-12,14-15H2,1H3,(H,25,28)
InChIKeyHAKXHLHTZYNDHE-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.12
Rot. Bonds7

About N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 163379368) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide
PubChem CID163379368
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OC(CO)c3ccccc3)cc2c1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C24H27NO6/c1-16-22(23(28)25-24(15-27)9-11-29-12-10-24)19-13-18(7-8-20(19)30-16)31-21(14-26)17-5-3-2-4-6-17/h2-8,13,21,26-27H,9-12,14-15H2,1H3,(H,25,28)
InChIKeyHAKXHLHTZYNDHE-UHFFFAOYSA-N
XLogP3.12
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide (CID 163379368) is N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(OC(CO)c3ccccc3)cc2c1C(=O)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is HAKXHLHTZYNDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-16-22(23(28)25-24(15-27)9-11-29-12-10-24)19-13-18(7-8-20(19)30-16)31-21(14-26)17-5-3-2-4-6-17/h2-8,13,21,26-27H,9-12,14-15H2,1H3,(H,25,28).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).