(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

C19H27N3O3 — CID 95046533

IUPAC(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C19H27N3O3/c1-15(16-5-3-2-4-6-16)20-19(24)17-13-18(23)22(14-17)8-7-21-9-11-25-12-10-21/h2-6,15,17H,7-14H2,1H3,(H,20,24)/t15-,17-/m1/s1
InChIKeyKBWRGTSTBGCUFJ-NVXWUHKLSA-N
MW345.44 g/mol
LogP1.04
Rot. Bonds6

About (3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 95046533) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID95046533
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C19H27N3O3/c1-15(16-5-3-2-4-6-16)20-19(24)17-13-18(23)22(14-17)8-7-21-9-11-25-12-10-21/h2-6,15,17H,7-14H2,1H3,(H,20,24)/t15-,17-/m1/s1
InChIKeyKBWRGTSTBGCUFJ-NVXWUHKLSA-N
XLogP1.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 52536465
1-(3-methylbutyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113185589
N-(2-amino-2-phenylethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119529290
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119361761
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182995
N-[1-(4-methylphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55577189
N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119508727
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398236
N-(2,5-dimethylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182982

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 95046533) is (3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1.
What is the InChIKey of (3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is KBWRGTSTBGCUFJ-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15(16-5-3-2-4-6-16)20-19(24)17-13-18(23)22(14-17)8-7-21-9-11-25-12-10-21/h2-6,15,17H,7-14H2,1H3,(H,20,24)/t15-,17-/m1/s1.
What are the key properties of (3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95046533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).