1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

C17H23N3O3 — CID 108907537

IUPAC1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCOc1ccc(/C=C/NC(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-23-15-7-5-14(6-8-15)9-11-19-17(22)18-10-3-13-20-12-2-4-16(20)21/h5-9,11H,2-4,10,12-13H2,1H3,(H2,18,19,22)/b11-9+
InChIKeyDTPJIFSOTZXGCJ-PKNBQFBNSA-N
MW317.39 g/mol
LogP1.98
Rot. Bonds7

About 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 108907537) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID108907537
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCOc1ccc(/C=C/NC(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-23-15-7-5-14(6-8-15)9-11-19-17(22)18-10-3-13-20-12-2-4-16(20)21/h5-9,11H,2-4,10,12-13H2,1H3,(H2,18,19,22)/b11-9+
InChIKeyDTPJIFSOTZXGCJ-PKNBQFBNSA-N
XLogP1.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-piperazin-1-ylethyl)urea
CID 108907667
1-[(E)-2-(2-bromophenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108904928
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 9130268
2-(4-formylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 78788687
2-N-(4-methoxyphenyl)-5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353639
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4908880
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108891289
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 7544280
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528
3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide
CID 46071391

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 108907537) is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is COc1ccc(/C=C/NC(=O)NCCCN2CCCC2=O)cc1.
What is the InChIKey of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is DTPJIFSOTZXGCJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-7-5-14(6-8-15)9-11-19-17(22)18-10-3-13-20-12-2-4-16(20)21/h5-9,11H,2-4,10,12-13H2,1H3,(H2,18,19,22)/b11-9+.
What are the key properties of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 317.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 108907537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).