1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea

C21H25N3O6 — CID 7552547

IUPAC1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc(OC)c(NC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)c1
InChIInChI=1S/C21H25N3O6/c1-27-15-6-8-17(28-2)16(11-15)23-21(26)22-13-9-20(25)24(12-13)14-5-7-18(29-3)19(10-14)30-4/h5-8,10-11,13H,9,12H2,1-4H3,(H2,22,23,26)/t13-/m1/s1
InChIKeyBBBQFUCGYWEFGE-CYBMUJFWSA-N
MW415.45 g/mol
LogP2.65
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea

1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 7552547) has the molecular formula C21H25N3O6 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID7552547
Molecular FormulaC21H25N3O6
Molecular Weight415.45 g/mol
Exact Mass415.17
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc(OC)c(NC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)c1
InChIInChI=1S/C21H25N3O6/c1-27-15-6-8-17(28-2)16(11-15)23-21(26)22-13-9-20(25)24(12-13)14-5-7-18(29-3)19(10-14)30-4/h5-8,10-11,13H,9,12H2,1-4H3,(H2,22,23,26)/t13-/m1/s1
InChIKeyBBBQFUCGYWEFGE-CYBMUJFWSA-N
XLogP2.65
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea with MolForge

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544528
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 43970491
1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 7244456
1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244222
1-(2,5-dimethoxyphenyl)-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547452
1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylphenyl)urea
CID 7552485
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2,4-dimethoxyphenyl)urea
CID 7215925
N-[4-[[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7244467
1-(3,4-dimethoxyphenyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564233
1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7552490
1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546480
1-(2,3-dichlorophenyl)-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 41128760

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea (CID 7552547) is 1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea is COc1ccc(OC)c(NC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is BBBQFUCGYWEFGE-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H25N3O6/c1-27-15-6-8-17(28-2)16(11-15)23-21(26)22-13-9-20(25)24(12-13)14-5-7-18(29-3)19(10-14)30-4/h5-8,10-11,13H,9,12H2,1-4H3,(H2,22,23,26)/t13-/m1/s1.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 415.45 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 7552547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).