N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C18H21N3O4 — CID 111458326

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NCC(C)(O)c3cnn(C)c3)coc2c1
InChIInChI=1S/C18H21N3O4/c1-18(23,13-8-20-21(2)9-13)11-19-17(22)6-12-10-25-16-7-14(24-3)4-5-15(12)16/h4-5,7-10,23H,6,11H2,1-3H3,(H,19,22)
InChIKeyNTMWZNOGPMSJGD-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.74
Rot. Bonds6

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 111458326) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID111458326
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NCC(C)(O)c3cnn(C)c3)coc2c1
InChIInChI=1S/C18H21N3O4/c1-18(23,13-8-20-21(2)9-13)11-19-17(22)6-12-10-25-16-7-14(24-3)4-5-15(12)16/h4-5,7-10,23H,6,11H2,1-3H3,(H,19,22)
InChIKeyNTMWZNOGPMSJGD-UHFFFAOYSA-N
XLogP1.74
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 111458326) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)NCC(C)(O)c3cnn(C)c3)coc2c1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is NTMWZNOGPMSJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-18(23,13-8-20-21(2)9-13)11-19-17(22)6-12-10-25-16-7-14(24-3)4-5-15(12)16/h4-5,7-10,23H,6,11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 111458326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).