1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea

C20H23N3O2 — CID 38953906

IUPAC1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1ccc(CC(=O)N2CCCC2)cc1
InChIInChI=1S/C20H23N3O2/c24-19(23-12-4-5-13-23)14-16-8-10-18(11-9-16)22-20(25)21-15-17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-15H2,(H2,21,22,25)
InChIKeyMOJDSIOKJJQZKF-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.17
Rot. Bonds5

About 1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea

1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea (PubChem CID 38953906) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
PubChem CID38953906
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1ccc(CC(=O)N2CCCC2)cc1
InChIInChI=1S/C20H23N3O2/c24-19(23-12-4-5-13-23)14-16-8-10-18(11-9-16)22-20(25)21-15-17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-15H2,(H2,21,22,25)
InChIKeyMOJDSIOKJJQZKF-UHFFFAOYSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone
CID 42852689
1-[(4-chlorophenyl)methyl]-3-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]urea;methanol
CID 156825295
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
N-phenyl-4-(2-phenylacetyl)-1,4-diazepane-1-carboxamide
CID 110811558
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
N-benzylazonane-1-carboxamide
CID 130689649
2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone
CID 170159866
2-formamidoacetic acid;1-(2-methylphenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 176980922
1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea
CID 121061896
1-[(2,4-dichlorophenyl)methyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 60576943

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea?
The IUPAC name of 1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea (CID 38953906) is 1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea?
The canonical SMILES for 1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea is O=C(NCc1ccccc1)Nc1ccc(CC(=O)N2CCCC2)cc1.
What is the InChIKey of 1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea?
The InChIKey is MOJDSIOKJJQZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(23-12-4-5-13-23)14-16-8-10-18(11-9-16)22-20(25)21-15-17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-15H2,(H2,21,22,25).
What are the key properties of 1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea?
1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea has a molecular weight of 337.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea is sourced from PubChem (CID 38953906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).