(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H25N3O4 — CID 25332767

IUPAC(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)c1
InChIInChI=1S/C22H25N3O4/c1-28-20-4-2-3-19(14-20)25-15-16(13-21(25)26)22(27)23-17-5-7-18(8-6-17)24-9-11-29-12-10-24/h2-8,14,16H,9-13,15H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyBNSDHVXXTRBLDO-INIZCTEOSA-N
MW395.46 g/mol
LogP2.52
Rot. Bonds5

About (3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 25332767) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID25332767
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)c1
InChIInChI=1S/C22H25N3O4/c1-28-20-4-2-3-19(14-20)25-15-16(13-21(25)26)22(27)23-17-5-7-18(8-6-17)24-9-11-29-12-10-24/h2-8,14,16H,9-13,15H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyBNSDHVXXTRBLDO-INIZCTEOSA-N
XLogP2.52
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.52
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

1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
N-(4-methoxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791034
1-(4-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188168
1-(3-methoxyphenyl)-5-oxo-N-[4-(oxolane-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide
CID 42955805
(3R)-1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1006945
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388317
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
N-[4-(diethylamino)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188154
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439
(3S)-N-(1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388404

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 25332767) is (3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)c1.
What is the InChIKey of (3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BNSDHVXXTRBLDO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-28-20-4-2-3-19(14-20)25-15-16(13-21(25)26)22(27)23-17-5-7-18(8-6-17)24-9-11-29-12-10-24/h2-8,14,16H,9-13,15H2,1H3,(H,23,27)/t16-/m0/s1.
What are the key properties of (3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 25332767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).