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

C15H21N3O3 — CID 2215682

IUPAC1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCOc1ccc(NC(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C15H21N3O3/c1-21-13-7-5-12(6-8-13)17-15(20)16-9-3-11-18-10-2-4-14(18)19/h5-8H,2-4,9-11H2,1H3,(H2,16,17,20)
InChIKeyYZLGHDBYIOVXAL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.83
Rot. Bonds6

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

1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 2215682) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID2215682
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCOc1ccc(NC(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C15H21N3O3/c1-21-13-7-5-12(6-8-13)17-15(20)16-9-3-11-18-10-2-4-14(18)19/h5-8H,2-4,9-11H2,1H3,(H2,16,17,20)
InChIKeyYZLGHDBYIOVXAL-UHFFFAOYSA-N
XLogP1.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.83
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-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108907537
2-N-(4-methoxyphenyl)-5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353639
1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea
CID 100757854
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 9130268
(3S)-N-(4-methoxyphenyl)-3-[3-(2-oxoazepan-1-yl)propylamino]butanamide
CID 39966014
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-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528
2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78822014
1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(2,3,4-trifluorophenyl)urea
CID 108892423
N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide
CID 52663990

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 2215682) is 1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is COc1ccc(NC(=O)NCCCN2CCCC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is YZLGHDBYIOVXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-13-7-5-12(6-8-13)17-15(20)16-9-3-11-18-10-2-4-14(18)19/h5-8H,2-4,9-11H2,1H3,(H2,16,17,20).
What are the key properties of 1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 291.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 2215682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).