N-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide

C20H22N2O3 — CID 3780809

IUPACN-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C20H22N2O3/c23-20(21-8-3-9-22-10-12-24-13-11-22)19-14-17-16-5-2-1-4-15(16)6-7-18(17)25-19/h1-2,4-7,14H,3,8-13H2,(H,21,23)
InChIKeyIRZRVKQGMKQLHF-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.04
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide

N-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide (PubChem CID 3780809) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide
PubChem CID3780809
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C20H22N2O3/c23-20(21-8-3-9-22-10-12-24-13-11-22)19-14-17-16-5-2-1-4-15(16)6-7-18(17)25-19/h1-2,4-7,14H,3,8-13H2,(H,21,23)
InChIKeyIRZRVKQGMKQLHF-UHFFFAOYSA-N
XLogP3.04
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide (CID 3780809) is N-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is IRZRVKQGMKQLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20(21-8-3-9-22-10-12-24-13-11-22)19-14-17-16-5-2-1-4-15(16)6-7-18(17)25-19/h1-2,4-7,14H,3,8-13H2,(H,21,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide?
N-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 3780809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).