(3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

C23H36N2O3 — CID 98158192

IUPAC(3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCN[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C23H36N2O3/c1-3-4-5-6-7-8-9-10-11-12-17-24-21-18-22(26)25(23(21)27)19-13-15-20(28-2)16-14-19/h13-16,21,24H,3-12,17-18H2,1-2H3/t21-/m1/s1
InChIKeyCTGVDGAJAUCSOP-OAQYLSRUSA-N
MW388.55 g/mol
LogP4.84
Rot. Bonds14

About (3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

(3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 98158192) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is (3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID98158192
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Name(3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCN[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C23H36N2O3/c1-3-4-5-6-7-8-9-10-11-12-17-24-21-18-22(26)25(23(21)27)19-13-15-20(28-2)16-14-19/h13-16,21,24H,3-12,17-18H2,1-2H3/t21-/m1/s1
InChIKeyCTGVDGAJAUCSOP-OAQYLSRUSA-N
XLogP4.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.84
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

(3R)-1-(4-methoxyphenyl)-3-(3-methoxypropylamino)pyrrolidine-2,5-dione
CID 7471055
(3S)-1-(4-methoxyphenyl)-3-(3-methoxypropylamino)pyrrolidine-2,5-dione
CID 7471057
(3R)-1-(4-bromophenyl)-3-(dodecylamino)pyrrolidine-2,5-dione
CID 98066333
methyl 4-[3-(dodecylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 4685424
(3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione
CID 2162408
3-[3-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]propylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 4302030
(3R)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 96838015
(3S)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 97290160
1-(4-methoxyphenyl)-3-(2-piperidin-1-ylethylamino)pyrrolidine-2,5-dione
CID 3148436
3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 3720152
2-[[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile
CID 7013367
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (CID 98158192) is (3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is CCCCCCCCCCCCN[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O.
What is the InChIKey of (3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is CTGVDGAJAUCSOP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-3-4-5-6-7-8-9-10-11-12-17-24-21-18-22(26)25(23(21)27)19-13-15-20(28-2)16-14-19/h13-16,21,24H,3-12,17-18H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 388.55 g/mol, XLogP of 4.84, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98158192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).