(3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione

C20H22N2O3 — CID 2162408

IUPAC(3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@H](NCCCc3ccccc3)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-25-17-11-9-16(10-12-17)22-19(23)14-18(20(22)24)21-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,18,21H,5,8,13-14H2,1H3/t18-/m0/s1
InChIKeyHLFBVZFDKIDWRX-SFHVURJKSA-N
MW338.41 g/mol
LogP2.55
Rot. Bonds7

About (3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione

(3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione (PubChem CID 2162408) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione
PubChem CID2162408
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@H](NCCCc3ccccc3)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-25-17-11-9-16(10-12-17)22-19(23)14-18(20(22)24)21-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,18,21H,5,8,13-14H2,1H3/t18-/m0/s1
InChIKeyHLFBVZFDKIDWRX-SFHVURJKSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
(3S)-1-(4-methoxyphenyl)-3-(3-methoxypropylamino)pyrrolidine-2,5-dione
CID 7471057
(3R)-1-(4-methoxyphenyl)-3-(3-methoxypropylamino)pyrrolidine-2,5-dione
CID 7471055
(3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 98158192
1-(4-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 2927944
3-[2-(2-chlorophenyl)ethylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 4106401
1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 2928646
4-[2-[[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 7318799
(3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130910
(3R)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 96838015
(3S)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 97290160
(3R)-3-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 706667

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione (CID 2162408) is (3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)C[C@H](NCCCc3ccccc3)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione?
The InChIKey is HLFBVZFDKIDWRX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-17-11-9-16(10-12-17)22-19(23)14-18(20(22)24)21-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,18,21H,5,8,13-14H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione?
(3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione has a molecular weight of 338.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2162408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).