2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione

C29H30N4O6 — CID 4976751

IUPAC2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione
SMILESCOc1ccc(CCN2C(=O)N(c3ccccc3)C(n3oc(=O)n(-c4ccccc4)c3=O)C2(C)C)cc1OC
InChIInChI=1S/C29H30N4O6/c1-29(2)25(33-27(35)32(28(36)39-33)22-13-9-6-10-14-22)31(21-11-7-5-8-12-21)26(34)30(29)18-17-20-15-16-23(37-3)24(19-20)38-4/h5-16,19,25H,17-18H2,1-4H3
InChIKeyNXTREEYCJGLPDP-UHFFFAOYSA-N
MW530.58 g/mol
LogP4.07
Rot. Bonds8

About 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione

2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 4976751) has the molecular formula C29H30N4O6 and a molecular weight of 530.58 g/mol. Its IUPAC name is 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione
PubChem CID4976751
Molecular FormulaC29H30N4O6
Molecular Weight530.58 g/mol
Exact Mass530.22
IUPAC Name2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione
SMILESCOc1ccc(CCN2C(=O)N(c3ccccc3)C(n3oc(=O)n(-c4ccccc4)c3=O)C2(C)C)cc1OC
InChIInChI=1S/C29H30N4O6/c1-29(2)25(33-27(35)32(28(36)39-33)22-13-9-6-10-14-22)31(21-11-7-5-8-12-21)26(34)30(29)18-17-20-15-16-23(37-3)24(19-20)38-4/h5-16,19,25H,17-18H2,1-4H3
InChIKeyNXTREEYCJGLPDP-UHFFFAOYSA-N
XLogP4.07
TPSA99.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.58
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione with MolForge

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Related Compounds

1-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 40877286
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 4976953
1-[2-(3,4-dimethoxyphenyl)ethyl]-3a,5,5,9b-tetramethyl-4H-benzo[e][1,3]benzoxazol-2-one
CID 5298199
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 117026469
3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 11109127
4-(4-chlorophenyl)-2-[(4R)-5,5-dimethyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1,2,4-oxadiazolidine-3,5-dione
CID 1035026
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 10870149
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 19603658
(15R,19R)-17-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1036690
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4,5-dimethyl-2-oxopyrrole-3-carbonitrile
CID 11500649
(1R,9R,12S)-10-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide
CID 125429237
(2R)-3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 1153133

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione (CID 4976751) is 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione is COc1ccc(CCN2C(=O)N(c3ccccc3)C(n3oc(=O)n(-c4ccccc4)c3=O)C2(C)C)cc1OC.
What is the InChIKey of 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is NXTREEYCJGLPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O6/c1-29(2)25(33-27(35)32(28(36)39-33)22-13-9-6-10-14-22)31(21-11-7-5-8-12-21)26(34)30(29)18-17-20-15-16-23(37-3)24(19-20)38-4/h5-16,19,25H,17-18H2,1-4H3.
What are the key properties of 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione?
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 530.58 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-4-phenyl-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 4976751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).