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

C18H25N3O3 — CID 95149909

IUPAC(3S)-N-benzyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C18H25N3O3/c22-17-12-16(18(23)19-13-15-4-2-1-3-5-15)14-21(17)7-6-20-8-10-24-11-9-20/h1-5,16H,6-14H2,(H,19,23)/t16-/m0/s1
InChIKeyVTGYIMNKLXBQQH-INIZCTEOSA-N
MW331.42 g/mol
LogP0.48
Rot. Bonds6

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

(3S)-N-benzyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95149909) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3S)-N-benzyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95149909
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(3S)-N-benzyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C18H25N3O3/c22-17-12-16(18(23)19-13-15-4-2-1-3-5-15)14-21(17)7-6-20-8-10-24-11-9-20/h1-5,16H,6-14H2,(H,19,23)/t16-/m0/s1
InChIKeyVTGYIMNKLXBQQH-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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Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 95149909) is (3S)-N-benzyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of (3S)-N-benzyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VTGYIMNKLXBQQH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17-12-16(18(23)19-13-15-4-2-1-3-5-15)14-21(17)7-6-20-8-10-24-11-9-20/h1-5,16H,6-14H2,(H,19,23)/t16-/m0/s1.
What are the key properties of (3S)-N-benzyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-benzyl-1-(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)-N-benzyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95149909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).