3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea

C22H27N3O4 — CID 7546668

IUPAC3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea
SMILESCCOc1ccc(N2C[C@H](NC(=O)N(CC)c3ccc(OC)cc3)CC2=O)cc1
InChIInChI=1S/C22H27N3O4/c1-4-24(17-6-10-19(28-3)11-7-17)22(27)23-16-14-21(26)25(15-16)18-8-12-20(13-9-18)29-5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,27)/t16-/m1/s1
InChIKeyUNYITWPKRSJXGD-MRXNPFEDSA-N
MW397.48 g/mol
LogP3.44
Rot. Bonds7

About 3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea

3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea (PubChem CID 7546668) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea
PubChem CID7546668
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea
SMILESCCOc1ccc(N2C[C@H](NC(=O)N(CC)c3ccc(OC)cc3)CC2=O)cc1
InChIInChI=1S/C22H27N3O4/c1-4-24(17-6-10-19(28-3)11-7-17)22(27)23-16-14-21(26)25(15-16)18-8-12-20(13-9-18)29-5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,27)/t16-/m1/s1
InChIKeyUNYITWPKRSJXGD-MRXNPFEDSA-N
XLogP3.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969498
1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea
CID 7548446
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)-1-methylurea
CID 43969926
1-cyclohexyl-1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572688
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
CID 7545609
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7548852
3-chloro-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971031
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea?
The IUPAC name of 3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea (CID 7546668) is 3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea.
What is the SMILES notation for 3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea?
The canonical SMILES for 3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea is CCOc1ccc(N2C[C@H](NC(=O)N(CC)c3ccc(OC)cc3)CC2=O)cc1.
What is the InChIKey of 3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea?
The InChIKey is UNYITWPKRSJXGD-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-4-24(17-6-10-19(28-3)11-7-17)22(27)23-16-14-21(26)25(15-16)18-8-12-20(13-9-18)29-5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,27)/t16-/m1/s1.
What are the key properties of 3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea?
3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea has a molecular weight of 397.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea is sourced from PubChem (CID 7546668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).