1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea

C17H34N6O5 — CID 20557108

IUPAC1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea
SMILESNC(=O)N(CCO)CCCCN1CCN(CCCCN(CCO)C(N)=O)C1=O
InChIInChI=1S/C17H34N6O5/c18-15(26)20(11-13-24)5-1-3-7-22-9-10-23(17(22)28)8-4-2-6-21(12-14-25)16(19)27/h24-25H,1-14H2,(H2,18,26)(H2,19,27)
InChIKeyIICLJRIHKNELCP-UHFFFAOYSA-N
MW402.50 g/mol
LogP-0.97
Rot. Bonds14

About 1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea

1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea (PubChem CID 20557108) has the molecular formula C17H34N6O5 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea
PubChem CID20557108
Molecular FormulaC17H34N6O5
Molecular Weight402.50 g/mol
Exact Mass402.26
IUPAC Name1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea
SMILESNC(=O)N(CCO)CCCCN1CCN(CCCCN(CCO)C(N)=O)C1=O
InChIInChI=1S/C17H34N6O5/c18-15(26)20(11-13-24)5-1-3-7-22-9-10-23(17(22)28)8-4-2-6-21(12-14-25)16(19)27/h24-25H,1-14H2,(H2,18,26)(H2,19,27)
InChIKeyIICLJRIHKNELCP-UHFFFAOYSA-N
XLogP-0.97
TPSA156.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea
CID 137421992
1-(2-aminoethyl)-3-(2-hydroxyethyl)imidazolidin-2-one
CID 169449581
1,3-dioctylimidazolidin-2-one
CID 19987667
1,3-dibutylimidazolidin-2-one
CID 20887
1-butyl-1-(3-hydroxypropyl)urea
CID 87441686
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 21270270
1,3-bis(hydroxymethyl)imidazolidin-2-one;but-2-ene-1,4-diol;urea
CID 159160491
1-butyl-1-dodecylurea
CID 168918855
1-(2-hydroxyethyl)-3-(methoxymethyl)imidazolidin-2-one
CID 67989939
1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one
CID 84770128
1-bromo-3-(2-hydroxyethyl)imidazolidin-2-one
CID 87941850

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea (CID 20557108) is 1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea is NC(=O)N(CCO)CCCCN1CCN(CCCCN(CCO)C(N)=O)C1=O.
What is the InChIKey of 1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea?
The InChIKey is IICLJRIHKNELCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N6O5/c18-15(26)20(11-13-24)5-1-3-7-22-9-10-23(17(22)28)8-4-2-6-21(12-14-25)16(19)27/h24-25H,1-14H2,(H2,18,26)(H2,19,27).
What are the key properties of 1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea?
1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea has a molecular weight of 402.50 g/mol, XLogP of -0.97, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-[carbamoyl(2-hydroxyethyl)amino]butyl]-2-oxoimidazolidin-1-yl]butyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 20557108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).