(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide

C22H22N2O5 — CID 51457035

IUPAC(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C22H22N2O5/c1-15(28-16-7-3-2-4-8-16)21(25)23-19-17-9-5-6-10-18(17)29-20(19)22(26)24-11-13-27-14-12-24/h2-10,15H,11-14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyVNEFXISCUQFOJW-HNNXBMFYSA-N
MW394.43 g/mol
LogP3.31
Rot. Bonds5

About (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide

(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide (PubChem CID 51457035) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide
PubChem CID51457035
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C22H22N2O5/c1-15(28-16-7-3-2-4-8-16)21(25)23-19-17-9-5-6-10-18(17)29-20(19)22(26)24-11-13-27-14-12-24/h2-10,15H,11-14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyVNEFXISCUQFOJW-HNNXBMFYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159658
N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide
CID 20926182
N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide
CID 41294972
2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]propanamide
CID 20926300
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 3446005
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 17419143
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]furan-3-carboxamide
CID 18102271
2-ethoxy-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926220
2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
CID 46615853
3-cyclopropyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]propanamide
CID 71931115

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide (CID 51457035) is (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12.
What is the InChIKey of (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide?
The InChIKey is VNEFXISCUQFOJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-15(28-16-7-3-2-4-8-16)21(25)23-19-17-9-5-6-10-18(17)29-20(19)22(26)24-11-13-27-14-12-24/h2-10,15H,11-14H2,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide?
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide has a molecular weight of 394.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide is sourced from PubChem (CID 51457035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).