1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

C21H24N2O3 — CID 3131820

IUPAC1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(C2CC(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-14(2)26-18-11-5-15(6-12-18)19-13-20(24)23(21(19)25)17-9-7-16(8-10-17)22(3)4/h5-12,14,19H,13H2,1-4H3
InChIKeyNDINWXVMPVJSLN-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.59
Rot. Bonds5

About 1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (PubChem CID 3131820) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
PubChem CID3131820
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(C2CC(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-14(2)26-18-11-5-15(6-12-18)19-13-20(24)23(21(19)25)17-9-7-16(8-10-17)22(3)4/h5-12,14,19H,13H2,1-4H3
InChIKeyNDINWXVMPVJSLN-UHFFFAOYSA-N
XLogP3.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(Dimethylamino)phenyl]-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25266310
2-[4-(Dimethylamino)phenyl]-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 44588865
(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(m-tolyl)pyrrolidin-2-one
CID 10021760
3-(2-Methoxy-benzyl)-1-phenyl-pyrrolidine-2,5-dione
CID 2868945
3-Benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 646754
1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phenyl)-3-methyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
CID 15612145
3-Allyl-1-(2-dimethylamino-ethyl)-4-(4-methoxy-phenyl)-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
CID 15612148
1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phenyl)-3-propyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
CID 15612171
(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-phenyl-pyrrolidin-2-one
CID 10473148
4-Ethoxy-N-(4-pyrrolidin-1-yl-phenyl)-benzamide
CID 650825
4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 807479
1-[3-(4-Methoxyphenyl)propanoyl]indoline
CID 898384

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (CID 3131820) is 1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is CC(C)Oc1ccc(C2CC(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is NDINWXVMPVJSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14(2)26-18-11-5-15(6-12-18)19-13-20(24)23(21(19)25)17-9-7-16(8-10-17)22(3)4/h5-12,14,19H,13H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 352.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3131820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).