(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione

C22H30N4O4 — CID 1022325

IUPAC(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
SMILESCCN(CC)[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H](N(CC)CC)C3=O)cc2)C1=O
InChIInChI=1S/C22H30N4O4/c1-5-23(6-2)17-13-19(27)25(21(17)29)15-9-11-16(12-10-15)26-20(28)14-18(22(26)30)24(7-3)8-4/h9-12,17-18H,5-8,13-14H2,1-4H3/t17-,18-/m1/s1
InChIKeyDCSAANTUNCFNMM-QZTJIDSGSA-N
MW414.51 g/mol
LogP1.63
Rot. Bonds8

About (3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione

(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione (PubChem CID 1022325) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is (3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
PubChem CID1022325
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
SMILESCCN(CC)[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H](N(CC)CC)C3=O)cc2)C1=O
InChIInChI=1S/C22H30N4O4/c1-5-23(6-2)17-13-19(27)25(21(17)29)15-9-11-16(12-10-15)26-20(28)14-18(22(26)30)24(7-3)8-4/h9-12,17-18H,5-8,13-14H2,1-4H3/t17-,18-/m1/s1
InChIKeyDCSAANTUNCFNMM-QZTJIDSGSA-N
XLogP1.63
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(diethylamino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7065781
(3R)-3-(diethylamino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7065779
(3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 7303465
3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 3736654
(3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione
CID 894436
3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2927404
4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827253
1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione
CID 3777582
N-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743730
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23942969
N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743710
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide
CID 23915156

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione (CID 1022325) is (3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione is CCN(CC)[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H](N(CC)CC)C3=O)cc2)C1=O.
What is the InChIKey of (3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is DCSAANTUNCFNMM-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-5-23(6-2)17-13-19(27)25(21(17)29)15-9-11-16(12-10-15)26-20(28)14-18(22(26)30)24(7-3)8-4/h9-12,17-18H,5-8,13-14H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of (3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione?
(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 414.51 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 1022325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).