2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide

C22H26N2O4 — CID 51237733

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1c(C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C22H26N2O4/c25-19(13-16-12-14-5-6-15(16)11-14)23-20-17-3-1-2-4-18(17)28-21(20)22(26)24-7-9-27-10-8-24/h1-4,14-16H,5-13H2,(H,23,25)
InChIKeyIOTKXCFXSQSUHF-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.67
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide (PubChem CID 51237733) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
PubChem CID51237733
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1c(C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C22H26N2O4/c25-19(13-16-12-14-5-6-15(16)11-14)23-20-17-3-1-2-4-18(17)28-21(20)22(26)24-7-9-27-10-8-24/h1-4,14-16H,5-13H2,(H,23,25)
InChIKeyIOTKXCFXSQSUHF-UHFFFAOYSA-N
XLogP3.67
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]propanamide
CID 71931115
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 18558149
2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
CID 46615853
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide
CID 95339435
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535200
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
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
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24501964
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 98882162
2-(4-methylphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511152

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide (CID 51237733) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide is O=C(CC1CC2CCC1C2)Nc1c(C(=O)N2CCOCC2)oc2ccccc12.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is IOTKXCFXSQSUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-19(13-16-12-14-5-6-15(16)11-14)23-20-17-3-1-2-4-18(17)28-21(20)22(26)24-7-9-27-10-8-24/h1-4,14-16H,5-13H2,(H,23,25).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 51237733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).