1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea

C21H25N3O4 — CID 108875635

IUPAC1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
SMILESCOc1ccc(NC(=O)NC2CC(=O)N(C(C)c3ccccc3)C2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-14(15-7-5-4-6-8-15)24-13-17(12-20(24)25)23-21(26)22-16-9-10-18(27-2)19(11-16)28-3/h4-11,14,17H,12-13H2,1-3H3,(H2,22,23,26)
InChIKeyIHFAJLZLCQNSIT-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.19
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea

1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea (PubChem CID 108875635) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
PubChem CID108875635
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
SMILESCOc1ccc(NC(=O)NC2CC(=O)N(C(C)c3ccccc3)C2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-14(15-7-5-4-6-8-15)24-13-17(12-20(24)25)23-21(26)22-16-9-10-18(27-2)19(11-16)28-3/h4-11,14,17H,12-13H2,1-3H3,(H2,22,23,26)
InChIKeyIHFAJLZLCQNSIT-UHFFFAOYSA-N
XLogP3.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875895
1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875643
1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875746
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3,4-dimethoxyphenyl)urea
CID 108876008
1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875834
1-(5-methyl-1,2-oxazol-3-yl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875814
1-(3,4-dimethoxyphenyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564233
methyl 2-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]acetate
CID 108875961
1-(2,6-dichlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875924
1-(3,4-dimethoxyphenyl)-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547448
1-(3-methoxyphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876863
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876809

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea (CID 108875635) is 1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea is COc1ccc(NC(=O)NC2CC(=O)N(C(C)c3ccccc3)C2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The InChIKey is IHFAJLZLCQNSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14(15-7-5-4-6-8-15)24-13-17(12-20(24)25)23-21(26)22-16-9-10-18(27-2)19(11-16)28-3/h4-11,14,17H,12-13H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea has a molecular weight of 383.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 108875635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).