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

C15H21N3O2 — CID 24818661

IUPAC1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCc1ccccc1NC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C15H21N3O2/c1-12-6-2-3-7-13(12)17-15(20)16-9-5-11-18-10-4-8-14(18)19/h2-3,6-7H,4-5,8-11H2,1H3,(H2,16,17,20)
InChIKeyRPJONWLKTBHMKJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.13
Rot. Bonds5

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

1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 24818661) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID24818661
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCc1ccccc1NC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C15H21N3O2/c1-12-6-2-3-7-13(12)17-15(20)16-9-5-11-18-10-4-8-14(18)19/h2-3,6-7H,4-5,8-11H2,1H3,(H2,16,17,20)
InChIKeyRPJONWLKTBHMKJ-UHFFFAOYSA-N
XLogP2.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 24818661) is 1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is Cc1ccccc1NC(=O)NCCCN1CCCC1=O.
What is the InChIKey of 1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is RPJONWLKTBHMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-6-2-3-7-13(12)17-15(20)16-9-5-11-18-10-4-8-14(18)19/h2-3,6-7H,4-5,8-11H2,1H3,(H2,16,17,20).
What are the key properties of 1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 275.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 24818661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).