1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea

C21H25N3O2 — CID 43969205

IUPAC1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H25N3O2/c1-16(2)23(14-17-9-5-3-6-10-17)21(26)22-18-13-20(25)24(15-18)19-11-7-4-8-12-19/h3-12,16,18H,13-15H2,1-2H3,(H,22,26)
InChIKeyAGHRWWBUIIJTHT-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.41
Rot. Bonds5

About 1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea

1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea (PubChem CID 43969205) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
PubChem CID43969205
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H25N3O2/c1-16(2)23(14-17-9-5-3-6-10-17)21(26)22-18-13-20(25)24(15-18)19-11-7-4-8-12-19/h3-12,16,18H,13-15H2,1-2H3,(H,22,26)
InChIKeyAGHRWWBUIIJTHT-UHFFFAOYSA-N
XLogP3.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
CID 7546779
1-benzyl-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
CID 7552374
1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969233
1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969207
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
1-benzyl-1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564047
(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119305747
1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969243
1-benzyl-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7545606
3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
CID 7546959
1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
CID 7545609
1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513218

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea (CID 43969205) is 1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea is CC(C)N(Cc1ccccc1)C(=O)NC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea?
The InChIKey is AGHRWWBUIIJTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(2)23(14-17-9-5-3-6-10-17)21(26)22-18-13-20(25)24(15-18)19-11-7-4-8-12-19/h3-12,16,18H,13-15H2,1-2H3,(H,22,26).
What are the key properties of 1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea?
1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea has a molecular weight of 351.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea is sourced from PubChem (CID 43969205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).