(3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C26H33N3O3 — CID 52503367

IUPAC(3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(Cc2cccc(CNC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c2)CCO1
InChIInChI=1S/C26H33N3O3/c1-20-17-28(12-13-32-20)18-23-9-5-8-22(14-23)16-27-26(31)24-15-25(30)29(19-24)11-10-21-6-3-2-4-7-21/h2-9,14,20,24H,10-13,15-19H2,1H3,(H,27,31)/t20-,24-/m1/s1
InChIKeyAAYDAVYVMASOAP-HYBUGGRVSA-N
MW435.57 g/mol
LogP2.61
Rot. Bonds8

About (3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

(3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 52503367) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is (3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID52503367
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name(3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(Cc2cccc(CNC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c2)CCO1
InChIInChI=1S/C26H33N3O3/c1-20-17-28(12-13-32-20)18-23-9-5-8-22(14-23)16-27-26(31)24-15-25(30)29(19-24)11-10-21-6-3-2-4-7-21/h2-9,14,20,24H,10-13,15-19H2,1H3,(H,27,31)/t20-,24-/m1/s1
InChIKeyAAYDAVYVMASOAP-HYBUGGRVSA-N
XLogP2.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119864301
N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51153764
(4R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 98798763
1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
CID 52502638
2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864242
(2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081400
(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide
CID 119864239
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 94115136

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 52503367) is (3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is C[C@@H]1CN(Cc2cccc(CNC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c2)CCO1.
What is the InChIKey of (3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is AAYDAVYVMASOAP-HYBUGGRVSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-20-17-28(12-13-32-20)18-23-9-5-8-22(14-23)16-27-26(31)24-15-25(30)29(19-24)11-10-21-6-3-2-4-7-21/h2-9,14,20,24H,10-13,15-19H2,1H3,(H,27,31)/t20-,24-/m1/s1.
What are the key properties of (3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 52503367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).