1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea

C22H28N4O3 — CID 86861225

IUPAC1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea
SMILESCOCCN(CCCc1ccccc1)C(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C22H28N4O3/c1-29-16-15-25(13-6-9-18-7-3-2-4-8-18)22(28)24-19-10-5-11-20(17-19)26-14-12-23-21(26)27/h2-5,7-8,10-11,17H,6,9,12-16H2,1H3,(H,23,27)(H,24,28)
InChIKeyPIRSAJGVDRMSPH-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.33
Rot. Bonds9

About 1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea

1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea (PubChem CID 86861225) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea
PubChem CID86861225
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea
SMILESCOCCN(CCCc1ccccc1)C(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C22H28N4O3/c1-29-16-15-25(13-6-9-18-7-3-2-4-8-18)22(28)24-19-10-5-11-20(17-19)26-14-12-23-21(26)27/h2-5,7-8,10-11,17H,6,9,12-16H2,1H3,(H,23,27)(H,24,28)
InChIKeyPIRSAJGVDRMSPH-UHFFFAOYSA-N
XLogP3.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 52513315
N-(2-methoxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-N-(3-phenylpropyl)benzamide
CID 60596922
4-(4-chlorophenyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55779261
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea
CID 166259470
1-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 96533752
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731
(2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 94123689
1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
CID 38283609
1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 100624959
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126466308

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea (CID 86861225) is 1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea is COCCN(CCCc1ccccc1)C(=O)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea?
The InChIKey is PIRSAJGVDRMSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-29-16-15-25(13-6-9-18-7-3-2-4-8-18)22(28)24-19-10-5-11-20(17-19)26-14-12-23-21(26)27/h2-5,7-8,10-11,17H,6,9,12-16H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea?
1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea has a molecular weight of 396.49 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea is sourced from PubChem (CID 86861225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).