3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide

C22H22N2O5 — CID 18092742

IUPAC3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCOCc1cccc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1
InChIInChI=1S/C22H22N2O5/c1-27-14-15-5-4-6-16(13-15)21(25)23-19-17-7-2-3-8-18(17)29-20(19)22(26)24-9-11-28-12-10-24/h2-8,13H,9-12,14H2,1H3,(H,23,25)
InChIKeyWILGSOYSDCCZIA-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.30
Rot. Bonds5

About 3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide

3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide (PubChem CID 18092742) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
PubChem CID18092742
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCOCc1cccc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1
InChIInChI=1S/C22H22N2O5/c1-27-14-15-5-4-6-16(13-15)21(25)23-19-17-7-2-3-8-18(17)29-20(19)22(26)24-9-11-28-12-10-24/h2-8,13H,9-12,14H2,1H3,(H,23,25)
InChIKeyWILGSOYSDCCZIA-UHFFFAOYSA-N
XLogP3.30
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24501974
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
CID 20926272
[3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 18105358
3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926069
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 17419143
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]furan-3-carboxamide
CID 18102271
(2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 30749808
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789812
3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926283
2-ethoxy-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926220
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide (CID 18092742) is 3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide is COCc1cccc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is WILGSOYSDCCZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-27-14-15-5-4-6-16(13-15)21(25)23-19-17-7-2-3-8-18(17)29-20(19)22(26)24-9-11-28-12-10-24/h2-8,13H,9-12,14H2,1H3,(H,23,25).
What are the key properties of 3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide?
3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 394.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 18092742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).