(3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione

C23H28ClNO3 — CID 7323223

IUPAC(3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1CCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H28ClNO3/c24-20-3-1-15(2-4-20)10-19-11-21(26)25(22(19)27)5-6-28-23-12-16-7-17(13-23)9-18(8-16)14-23/h1-4,16-19H,5-14H2/t16?,17?,18?,19-,23?/m1/s1
InChIKeyNPLKTSUZAAIUTQ-GYVBGXKYSA-N
MW401.93 g/mol
LogP4.24
Rot. Bonds6

About (3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione

(3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 7323223) has the molecular formula C23H28ClNO3 and a molecular weight of 401.93 g/mol. Its IUPAC name is (3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
PubChem CID7323223
Molecular FormulaC23H28ClNO3
Molecular Weight401.93 g/mol
Exact Mass401.18
IUPAC Name(3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1CCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H28ClNO3/c24-20-3-1-15(2-4-20)10-19-11-21(26)25(22(19)27)5-6-28-23-12-16-7-17(13-23)9-18(8-16)14-23/h1-4,16-19H,5-14H2/t16?,17?,18?,19-,23?/m1/s1
InChIKeyNPLKTSUZAAIUTQ-GYVBGXKYSA-N
XLogP4.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.93
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 1119989
3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2868769
3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
CID 2940398
3-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpyrrolidine-2,5-dione
CID 2956902
2-[3-[(3-chloro-4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458270
(3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 795685
3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide
CID 98177833
(3R)-3-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione
CID 1091337
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
3-[(4-chlorophenyl)methyl]-1-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 3133545
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 98280034

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione (CID 7323223) is (3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione is O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1CCOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is NPLKTSUZAAIUTQ-GYVBGXKYSA-N. The full InChI is InChI=1S/C23H28ClNO3/c24-20-3-1-15(2-4-20)10-19-11-21(26)25(22(19)27)5-6-28-23-12-16-7-17(13-23)9-18(8-16)14-23/h1-4,16-19H,5-14H2/t16?,17?,18?,19-,23?/m1/s1.
What are the key properties of (3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione?
(3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 401.93 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(1-adamantyloxy)ethyl]-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7323223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).