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

C20H24N2O3 — CID 3811913

IUPACN-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C20H24N2O3/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/h1-2,4-7,19H,3,8-14H2,(H,21,23)
InChIKeyKYKOQRACRGXGOG-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.98
Rot. Bonds5

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

N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide (PubChem CID 3811913) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
PubChem CID3811913
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C20H24N2O3/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/h1-2,4-7,19H,3,8-14H2,(H,21,23)
InChIKeyKYKOQRACRGXGOG-UHFFFAOYSA-N
XLogP1.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.98
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)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide (CID 3811913) is N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide is O=C(NCCCN1CCOCC1)C1Cc2c(ccc3ccccc23)O1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
The InChIKey is KYKOQRACRGXGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/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/h1-2,4-7,19H,3,8-14H2,(H,21,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 1.98, 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)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 3811913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).