(3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

C24H32N2O3 — CID 7236087

IUPAC(3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)C[C@@H](NCC34CC5CC(CC(C5)C3)C4)C2=O)cc1
InChIInChI=1S/C24H32N2O3/c1-2-7-29-20-5-3-19(4-6-20)26-22(27)11-21(23(26)28)25-15-24-12-16-8-17(13-24)10-18(9-16)14-24/h3-6,16-18,21,25H,2,7-15H2,1H3/t16?,17?,18?,21-,24?/m1/s1
InChIKeyDRWJDCGLSRJKJO-WWKNUYBVSA-N
MW396.53 g/mol
LogP3.91
Rot. Bonds7

About (3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

(3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 7236087) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is (3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID7236087
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name(3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)C[C@@H](NCC34CC5CC(CC(C5)C3)C4)C2=O)cc1
InChIInChI=1S/C24H32N2O3/c1-2-7-29-20-5-3-19(4-6-20)26-22(27)11-21(23(26)28)25-15-24-12-16-8-17(13-24)10-18(9-16)14-24/h3-6,16-18,21,25H,2,7-15H2,1H3/t16?,17?,18?,21-,24?/m1/s1
InChIKeyDRWJDCGLSRJKJO-WWKNUYBVSA-N
XLogP3.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 596451
3-[3-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]propylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 4302030
3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 3720152
(3S)-3-(cyclopropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 92693012
2-[[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile
CID 7013367
(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7025063
(3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 7236089
3-[3-(4-ethylpiperazin-1-yl)propylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 2936264
(3S)-3-(4-methylsulfanylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 51659053
(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7928162
(3R)-3-(3-chloroanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7410238
(3R)-3-[4-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7986469

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (CID 7236087) is (3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1ccc(N2C(=O)C[C@@H](NCC34CC5CC(CC(C5)C3)C4)C2=O)cc1.
What is the InChIKey of (3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is DRWJDCGLSRJKJO-WWKNUYBVSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-2-7-29-20-5-3-19(4-6-20)26-22(27)11-21(23(26)28)25-15-24-12-16-8-17(13-24)10-18(9-16)14-24/h3-6,16-18,21,25H,2,7-15H2,1H3/t16?,17?,18?,21-,24?/m1/s1.
What are the key properties of (3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 396.53 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7236087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).