N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide

C19H20N2O3 — CID 6460423

IUPACN-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C19H20N2O3/c22-19(20-7-8-21-9-11-23-12-10-21)18-13-16-15-4-2-1-3-14(15)5-6-17(16)24-18/h1-6,13H,7-12H2,(H,20,22)
InChIKeyCRQBAHXIDVJYHR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.65
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide

N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide (PubChem CID 6460423) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide
PubChem CID6460423
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C19H20N2O3/c22-19(20-7-8-21-9-11-23-12-10-21)18-13-16-15-4-2-1-3-14(15)5-6-17(16)24-18/h1-6,13H,7-12H2,(H,20,22)
InChIKeyCRQBAHXIDVJYHR-UHFFFAOYSA-N
XLogP2.65
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide (CID 6460423) is N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide is O=C(NCCN1CCOCC1)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is CRQBAHXIDVJYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-19(20-7-8-21-9-11-23-12-10-21)18-13-16-15-4-2-1-3-14(15)5-6-17(16)24-18/h1-6,13H,7-12H2,(H,20,22).
What are the key properties of N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide?
N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 6460423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).