(2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide

C25H25N3O6 — CID 30749808

IUPAC(2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C25H25N3O6/c29-23(16-5-3-6-17(15-16)26-24(30)20-9-4-12-33-20)27-21-18-7-1-2-8-19(18)34-22(21)25(31)28-10-13-32-14-11-28/h1-3,5-8,15,20H,4,9-14H2,(H,26,30)(H,27,29)/t20-/m1/s1
InChIKeyLCCYBILQCPLYTJ-HXUWFJFHSA-N
MW463.49 g/mol
LogP3.28
Rot. Bonds5

About (2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 30749808) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is (2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID30749808
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name(2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C25H25N3O6/c29-23(16-5-3-6-17(15-16)26-24(30)20-9-4-12-33-20)27-21-18-7-1-2-8-19(18)34-22(21)25(31)28-10-13-32-14-11-28/h1-3,5-8,15,20H,4,9-14H2,(H,26,30)(H,27,29)/t20-/m1/s1
InChIKeyLCCYBILQCPLYTJ-HXUWFJFHSA-N
XLogP3.28
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide
CID 95339435
N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide
CID 7200167
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897
N-[3-[(2-morpholin-4-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55542414
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 17419143
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24501974
3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 18092742
(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 32781324
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
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926283

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 30749808) is (2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide is O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cccc(NC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of (2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is LCCYBILQCPLYTJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H25N3O6/c29-23(16-5-3-6-17(15-16)26-24(30)20-9-4-12-33-20)27-21-18-7-1-2-8-19(18)34-22(21)25(31)28-10-13-32-14-11-28/h1-3,5-8,15,20H,4,9-14H2,(H,26,30)(H,27,29)/t20-/m1/s1.
What are the key properties of (2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 30749808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).