1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea

C22H27N3O3 — CID 7545609

IUPAC1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
SMILESCCOc1ccc(N2C[C@H](NC(=O)N(CC)Cc3ccccc3)CC2=O)cc1
InChIInChI=1S/C22H27N3O3/c1-3-24(15-17-8-6-5-7-9-17)22(27)23-18-14-21(26)25(16-18)19-10-12-20(13-11-19)28-4-2/h5-13,18H,3-4,14-16H2,1-2H3,(H,23,27)/t18-/m1/s1
InChIKeyQTPOOEWUAGOCCA-GOSISDBHSA-N
MW381.48 g/mol
LogP3.42
Rot. Bonds7

About 1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea

1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea (PubChem CID 7545609) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea.

Molecular Properties

Compound Name1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
PubChem CID7545609
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
SMILESCCOc1ccc(N2C[C@H](NC(=O)N(CC)Cc3ccccc3)CC2=O)cc1
InChIInChI=1S/C22H27N3O3/c1-3-24(15-17-8-6-5-7-9-17)22(27)23-18-14-21(26)25(16-18)19-10-12-20(13-11-19)28-4-2/h5-13,18H,3-4,14-16H2,1-2H3,(H,23,27)/t18-/m1/s1
InChIKeyQTPOOEWUAGOCCA-GOSISDBHSA-N
XLogP3.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)urea
CID 7545625
1-benzyl-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7545606
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 7255321
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969207
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 7563275
1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea
CID 167861510
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
2-(4-ethoxyphenoxy)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546892
1-benzyl-1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564047
3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea
CID 7546668
3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)-1-methylurea
CID 43969926

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea?
The IUPAC name of 1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea (CID 7545609) is 1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea.
What is the SMILES notation for 1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea?
The canonical SMILES for 1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea is CCOc1ccc(N2C[C@H](NC(=O)N(CC)Cc3ccccc3)CC2=O)cc1.
What is the InChIKey of 1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea?
The InChIKey is QTPOOEWUAGOCCA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-24(15-17-8-6-5-7-9-17)22(27)23-18-14-21(26)25(16-18)19-10-12-20(13-11-19)28-4-2/h5-13,18H,3-4,14-16H2,1-2H3,(H,23,27)/t18-/m1/s1.
What are the key properties of 1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea?
1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea has a molecular weight of 381.48 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea is sourced from PubChem (CID 7545609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).