1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea

C18H28N2O6 — CID 102256223

IUPAC1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2
InChIInChI=1S/C18H28N2O6/c1-2-5-19-18(21)20-15-3-4-16-17(14-15)26-13-11-24-9-7-22-6-8-23-10-12-25-16/h3-4,14H,2,5-13H2,1H3,(H2,19,20,21)
InChIKeyQOUBEWYINGOWIH-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.04
Rot. Bonds3

About 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea

1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea (PubChem CID 102256223) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea.

Molecular Properties

Compound Name1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea
PubChem CID102256223
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Name1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2
InChIInChI=1S/C18H28N2O6/c1-2-5-19-18(21)20-15-3-4-16-17(14-15)26-13-11-24-9-7-22-6-8-23-10-12-25-16/h3-4,14H,2,5-13H2,1H3,(H2,19,20,21)
InChIKeyQOUBEWYINGOWIH-UHFFFAOYSA-N
XLogP2.04
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
1-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea
CID 47103492
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pentylurea
CID 47132513
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(S)-ethylsulfinyl]ethyl]urea
CID 95770370
N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
1-(1,3-benzodioxol-5-yl)-3-hexylurea
CID 4107112
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide
CID 43086701
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
CID 100923504
N-butyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 3220602
N-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)acetamide
CID 3943211
1-(1,3-benzodioxol-5-yl)-3-(3-oxobutyl)urea
CID 108895209

Frequently Asked Questions

What is the IUPAC name of 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea?
The IUPAC name of 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea (CID 102256223) is 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea.
What is the SMILES notation for 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea?
The canonical SMILES for 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea is CCCNC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2.
What is the InChIKey of 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea?
The InChIKey is QOUBEWYINGOWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O6/c1-2-5-19-18(21)20-15-3-4-16-17(14-15)26-13-11-24-9-7-22-6-8-23-10-12-25-16/h3-4,14H,2,5-13H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea?
1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea has a molecular weight of 368.43 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea is sourced from PubChem (CID 102256223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).