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

C25H25N3O5 — CID 24501974

IUPACN-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C25H25N3O5/c29-21-9-4-10-28(21)16-17-5-3-6-18(15-17)24(30)26-22-19-7-1-2-8-20(19)33-23(22)25(31)27-11-13-32-14-12-27/h1-3,5-8,15H,4,9-14,16H2,(H,26,30)
InChIKeyXMIKAJQJCFDZSQ-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.28
Rot. Bonds5

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

N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 24501974) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID24501974
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C25H25N3O5/c29-21-9-4-10-28(21)16-17-5-3-6-18(15-17)24(30)26-22-19-7-1-2-8-20(19)33-23(22)25(31)27-11-13-32-14-12-27/h1-3,5-8,15H,4,9-14,16H2,(H,26,30)
InChIKeyXMIKAJQJCFDZSQ-UHFFFAOYSA-N
XLogP3.28
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 18092742
(2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 30749808
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-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55407073
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36662906
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9150722
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789812
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
CID 20926272

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 24501974) is N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is XMIKAJQJCFDZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c29-21-9-4-10-28(21)16-17-5-3-6-18(15-17)24(30)26-22-19-7-1-2-8-20(19)33-23(22)25(31)27-11-13-32-14-12-27/h1-3,5-8,15H,4,9-14,16H2,(H,26,30).
What are the key properties of N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 447.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 24501974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).