3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide

C16H20N2O3 — CID 832343

IUPAC3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)oc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-12-13-4-2-3-5-14(13)21-15(12)16(19)17-6-7-18-8-10-20-11-9-18/h2-5H,6-11H2,1H3,(H,17,19)
InChIKeyZRYCAZZLWYIUBZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.80
Rot. Bonds4

About 3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide

3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 832343) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID832343
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)oc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-12-13-4-2-3-5-14(13)21-15(12)16(19)17-6-7-18-8-10-20-11-9-18/h2-5H,6-11H2,1H3,(H,17,19)
InChIKeyZRYCAZZLWYIUBZ-UHFFFAOYSA-N
XLogP1.80
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide (CID 832343) is 3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCN2CCOCC2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZRYCAZZLWYIUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-13-4-2-3-5-14(13)21-15(12)16(19)17-6-7-18-8-10-20-11-9-18/h2-5H,6-11H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 832343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).