N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C24H29N3O3 — CID 9150722

IUPACN-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C24H29N3O3/c28-23-10-5-11-27(23)17-19-6-4-9-21(16-19)24(29)25-22(20-7-2-1-3-8-20)18-26-12-14-30-15-13-26/h1-4,6-9,16,22H,5,10-15,17-18H2,(H,25,29)/t22-/m1/s1
InChIKeyHSZGAEYOQLPUQM-JOCHJYFZSA-N
MW407.51 g/mol
LogP2.61
Rot. Bonds7

About N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 9150722) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID9150722
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C24H29N3O3/c28-23-10-5-11-27(23)17-19-6-4-9-21(16-19)24(29)25-22(20-7-2-1-3-8-20)18-26-12-14-30-15-13-26/h1-4,6-9,16,22H,5,10-15,17-18H2,(H,25,29)/t22-/m1/s1
InChIKeyHSZGAEYOQLPUQM-JOCHJYFZSA-N
XLogP2.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide with MolForge

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Related Compounds

3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 95621032
(2S)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 45339810
3-(4-fluorophenyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid
CID 45338450
3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 134050340
N-benzhydryl-3-(morpholin-4-ylmethyl)benzamide
CID 43908479
3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444209
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148292
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148289
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 9150722) is N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is HSZGAEYOQLPUQM-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-23-10-5-11-27(23)17-19-6-4-9-21(16-19)24(29)25-22(20-7-2-1-3-8-20)18-26-12-14-30-15-13-26/h1-4,6-9,16,22H,5,10-15,17-18H2,(H,25,29)/t22-/m1/s1.
What are the key properties of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 407.51 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 9150722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).