(2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide

C25H29ClN4O4 — CID 11641599

IUPAC(2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(CN1CCC[C@@H]1C(=O)Nc1ccc(N2CCOCC2=O)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C25H29ClN4O4/c26-19-5-3-18(4-6-19)11-12-27-23(31)16-29-13-1-2-22(29)25(33)28-20-7-9-21(10-8-20)30-14-15-34-17-24(30)32/h3-10,22H,1-2,11-17H2,(H,27,31)(H,28,33)/t22-/m1/s1
InChIKeyYIQOAIYNWYGXRR-JOCHJYFZSA-N
MW484.98 g/mol
LogP2.46
Rot. Bonds8

About (2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 11641599) has the molecular formula C25H29ClN4O4 and a molecular weight of 484.98 g/mol. Its IUPAC name is (2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID11641599
Molecular FormulaC25H29ClN4O4
Molecular Weight484.98 g/mol
Exact Mass484.19
IUPAC Name(2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(CN1CCC[C@@H]1C(=O)Nc1ccc(N2CCOCC2=O)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C25H29ClN4O4/c26-19-5-3-18(4-6-19)11-12-27-23(31)16-29-13-1-2-22(29)25(33)28-20-7-9-21(10-8-20)30-14-15-34-17-24(30)32/h3-10,22H,1-2,11-17H2,(H,27,31)(H,28,33)/t22-/m1/s1
InChIKeyYIQOAIYNWYGXRR-JOCHJYFZSA-N
XLogP2.46
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.98
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 11626795
(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 69450357
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 69452855
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11202026
(2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 11604288
6-N-(4-chlorophenyl)-5-N-[4-(3-oxomorpholin-4-yl)phenyl]-4-oxa-6-azaspiro[2.4]heptane-5,6-dicarboxamide
CID 11547325
(2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 39013591
3-(4-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 110617653
(2R,4S)-1-N-(4-chlorophenyl)-4-ethynyl-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11283079
N-[2-(4-chlorophenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110412816
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 75384682
(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 9405076

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 11641599) is (2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide is O=C(CN1CCC[C@@H]1C(=O)Nc1ccc(N2CCOCC2=O)cc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is YIQOAIYNWYGXRR-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29ClN4O4/c26-19-5-3-18(4-6-19)11-12-27-23(31)16-29-13-1-2-22(29)25(33)28-20-7-9-21(10-8-20)30-14-15-34-17-24(30)32/h3-10,22H,1-2,11-17H2,(H,27,31)(H,28,33)/t22-/m1/s1.
What are the key properties of (2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 484.98 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11641599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).