(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide

C23H27N3O4 — CID 25408427

IUPAC(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
SMILESC[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H27N3O4/c1-17(30-21-5-2-4-20(16-21)26-11-3-6-22(26)27)23(28)24-18-7-9-19(10-8-18)25-12-14-29-15-13-25/h2,4-5,7-10,16-17H,3,6,11-15H2,1H3,(H,24,28)/t17-/m1/s1
InChIKeyYOOMUBBLERHRMU-QGZVFWFLSA-N
MW409.49 g/mol
LogP3.06
Rot. Bonds6

About (2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide

(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide (PubChem CID 25408427) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is (2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
PubChem CID25408427
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
SMILESC[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H27N3O4/c1-17(30-21-5-2-4-20(16-21)26-11-3-6-22(26)27)23(28)24-18-7-9-19(10-8-18)25-12-14-29-15-13-25/h2,4-5,7-10,16-17H,3,6,11-15H2,1H3,(H,24,28)/t17-/m1/s1
InChIKeyYOOMUBBLERHRMU-QGZVFWFLSA-N
XLogP3.06
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 92681474
2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 132761519
(2S)-2-(3-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 36569893
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
CID 41213761
(2R)-2-(3-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7781817
2-(3-fluorophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 86926058
methyl 3-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7989999
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
2-(4-ethoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 53267110
1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one
CID 64865890
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide?
The IUPAC name of (2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide (CID 25408427) is (2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide is C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide?
The InChIKey is YOOMUBBLERHRMU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-17(30-21-5-2-4-20(16-21)26-11-3-6-22(26)27)23(28)24-18-7-9-19(10-8-18)25-12-14-29-15-13-25/h2,4-5,7-10,16-17H,3,6,11-15H2,1H3,(H,24,28)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide?
(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide has a molecular weight of 409.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide is sourced from PubChem (CID 25408427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).