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

C21H25N3O5 — CID 7546480

IUPAC1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCOc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1
InChIInChI=1S/C21H25N3O5/c1-4-29-16-7-5-15(6-8-16)24-13-14(11-20(24)25)22-21(26)23-18-10-9-17(27-2)12-19(18)28-3/h5-10,12,14H,4,11,13H2,1-3H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyMUNAZLLHKMGLAL-CQSZACIVSA-N
MW399.45 g/mol
LogP3.03
Rot. Bonds7

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

1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 7546480) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID7546480
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCOc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1
InChIInChI=1S/C21H25N3O5/c1-4-29-16-7-5-15(6-8-16)24-13-14(11-20(24)25)22-21(26)23-18-10-9-17(27-2)12-19(18)28-3/h5-10,12,14H,4,11,13H2,1-3H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyMUNAZLLHKMGLAL-CQSZACIVSA-N
XLogP3.03
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244222
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2,4-dimethoxyphenyl)urea
CID 7215925
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide
CID 7548967
1-(2,4-dichlorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564322
1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564323
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 43970491
1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7552547
1-(2,3-dimethylphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546445
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
1-(2,5-dimethoxyphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544528
1-(2,3-dichlorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970048
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea (CID 7546480) is 1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea is CCOc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is MUNAZLLHKMGLAL-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-4-29-16-7-5-15(6-8-16)24-13-14(11-20(24)25)22-21(26)23-18-10-9-17(27-2)12-19(18)28-3/h5-10,12,14H,4,11,13H2,1-3H3,(H2,22,23,26)/t14-/m1/s1.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 399.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 7546480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).