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

C20H20N2O3 — CID 647689

IUPAC3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccccc12
InChIInChI=1S/C20H20N2O3/c1-14-17-4-2-3-5-18(17)25-19(14)20(23)21-15-6-8-16(9-7-15)22-10-12-24-13-11-22/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyAELDAMOGYZQRRC-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.83
Rot. Bonds3

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

3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 647689) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID647689
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccccc12
InChIInChI=1S/C20H20N2O3/c1-14-17-4-2-3-5-18(17)25-19(14)20(23)21-15-6-8-16(9-7-15)22-10-12-24-13-11-22/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyAELDAMOGYZQRRC-UHFFFAOYSA-N
XLogP3.83
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

CL82198
CID 2777
5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide
CID 2011756
N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
N-(2-Benzoyl-3-benzofuranyl)acetamide
CID 616884
N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 725651
Befuraline
CID 68664
JW 55
CID 2946601
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (CID 647689) is 3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is AELDAMOGYZQRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-17-4-2-3-5-18(17)25-19(14)20(23)21-15-6-8-16(9-7-15)22-10-12-24-13-11-22/h2-9H,10-13H2,1H3,(H,21,23).
What are the key properties of 3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 647689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).