(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

C18H25N3O3 — CID 93017350

IUPAC(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c22-17-12-16(14-21(17)13-15-4-2-1-3-5-15)18(23)19-6-7-20-8-10-24-11-9-20/h1-5,16H,6-14H2,(H,19,23)/t16-/m0/s1
InChIKeyZSFWTRSAGDASEI-INIZCTEOSA-N
MW331.42 g/mol
LogP0.48
Rot. Bonds6

About (3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 93017350) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID93017350
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c22-17-12-16(14-21(17)13-15-4-2-1-3-5-15)18(23)19-6-7-20-8-10-24-11-9-20/h1-5,16H,6-14H2,(H,19,23)/t16-/m0/s1
InChIKeyZSFWTRSAGDASEI-INIZCTEOSA-N
XLogP0.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55336569
(3R)-1-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 92696440
1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113184203
(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 94115136
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 51159436
1-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 86929748
1-benzyl-5-oxo-N-[2-(oxolane-2-carbonylamino)ethyl]pyrrolidine-3-carboxamide
CID 108541036
(3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2506973
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
1-benzyl-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108539005
1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 17080666
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 93017350) is (3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCCN1CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZSFWTRSAGDASEI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17-12-16(14-21(17)13-15-4-2-1-3-5-15)18(23)19-6-7-20-8-10-24-11-9-20/h1-5,16H,6-14H2,(H,19,23)/t16-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 93017350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).