3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide

C14H16N2O3 — CID 1246938

IUPAC3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN2CCOCC2)oc2ccccc12
InChIInChI=1S/C14H16N2O3/c1-10-11-4-2-3-5-12(11)19-13(10)14(17)15-16-6-8-18-9-7-16/h2-5H,6-9H2,1H3,(H,15,17)
InChIKeyMWSUXSKFIRIHEH-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.72
Rot. Bonds2

About 3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide

3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide (PubChem CID 1246938) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide
PubChem CID1246938
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN2CCOCC2)oc2ccccc12
InChIInChI=1S/C14H16N2O3/c1-10-11-4-2-3-5-12(11)19-13(10)14(17)15-16-6-8-18-9-7-16/h2-5H,6-9H2,1H3,(H,15,17)
InChIKeyMWSUXSKFIRIHEH-UHFFFAOYSA-N
XLogP1.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CL82198
CID 2777
2-Benzofurancarboxamide
CID 687121
2-Benzofurancarboxamide, N-methyl-
CID 660372
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
Hdac3-IN-8
CID 166628045
5-fluoro-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166635529
2-Benzofuranyl-4-morpholinylmethanone
CID 3819793
1-((3-Methyl-1-benzofuran-2-YL)carbonyl)piperidine
CID 768762
1-[4-(1-Benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 2116981
N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 2469681
3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide
CID 2492562

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide (CID 1246938) is 3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NN2CCOCC2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide?
The InChIKey is MWSUXSKFIRIHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-11-4-2-3-5-12(11)19-13(10)14(17)15-16-6-8-18-9-7-16/h2-5H,6-9H2,1H3,(H,15,17).
What are the key properties of 3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide?
3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-morpholin-4-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1246938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).