1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea

C22H27N3O2 — CID 108876454

IUPAC1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCc1ccc(C(C)NC(=O)NC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C22H27N3O2/c1-3-17-9-11-19(12-10-17)16(2)23-22(27)24-20-13-21(26)25(15-20)14-18-7-5-4-6-8-18/h4-12,16,20H,3,13-15H2,1-2H3,(H2,23,24,27)
InChIKeySFJVJQOPEIRHBT-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.41
Rot. Bonds6

About 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea

1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea (PubChem CID 108876454) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea
PubChem CID108876454
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCc1ccc(C(C)NC(=O)NC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C22H27N3O2/c1-3-17-9-11-19(12-10-17)16(2)23-22(27)24-20-13-21(26)25(15-20)14-18-7-5-4-6-8-18/h4-12,16,20H,3,13-15H2,1-2H3,(H2,23,24,27)
InChIKeySFJVJQOPEIRHBT-UHFFFAOYSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96518684
1-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96518681
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid
CID 108876522
methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876461
3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
CID 108876584
1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
CID 108876474
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
CID 108876636

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea?
The IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea (CID 108876454) is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea.
What is the SMILES notation for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea?
The canonical SMILES for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea is CCc1ccc(C(C)NC(=O)NC2CC(=O)N(Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea?
The InChIKey is SFJVJQOPEIRHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-17-9-11-19(12-10-17)16(2)23-22(27)24-20-13-21(26)25(15-20)14-18-7-5-4-6-8-18/h4-12,16,20H,3,13-15H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea?
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea has a molecular weight of 365.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea is sourced from PubChem (CID 108876454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).