(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C25H25N3O3 — CID 9461562

IUPAC(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C25H25N3O3/c29-24-16-19(17-28(24)22-11-5-7-18-6-1-2-8-20(18)22)25(30)26-21-9-3-4-10-23(21)27-12-14-31-15-13-27/h1-11,19H,12-17H2,(H,26,30)/t19-/m0/s1
InChIKeyDAKPKYJSFCEFTJ-IBGZPJMESA-N
MW415.49 g/mol
LogP3.67
Rot. Bonds4

About (3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 9461562) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is (3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID9461562
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C25H25N3O3/c29-24-16-19(17-28(24)22-11-5-7-18-6-1-2-8-20(18)22)25(30)26-21-9-3-4-10-23(21)27-12-14-31-15-13-27/h1-11,19H,12-17H2,(H,26,30)/t19-/m0/s1
InChIKeyDAKPKYJSFCEFTJ-IBGZPJMESA-N
XLogP3.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
(3R)-N-(5-morpholin-4-yl-2-pyridinyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 93276407
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
1-(2,6-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186273
(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914917
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571
(3R)-1-naphthalen-1-yl-5-oxo-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-3-carboxamide
CID 52527278
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8005863
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005107
1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185559

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 9461562) is (3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccccc1N1CCOCC1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of (3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DAKPKYJSFCEFTJ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H25N3O3/c29-24-16-19(17-28(24)22-11-5-7-18-6-1-2-8-20(18)22)25(30)26-21-9-3-4-10-23(21)27-12-14-31-15-13-27/h1-11,19H,12-17H2,(H,26,30)/t19-/m0/s1.
What are the key properties of (3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9461562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).