1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea

C23H27N3O3 — CID 78877780

IUPAC1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
SMILESO=C(NCCCn1ccc2ccccc21)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C23H27N3O3/c27-23(24-12-5-13-26-14-11-18-6-1-2-10-22(18)26)25-19-7-3-8-20(16-19)29-17-21-9-4-15-28-21/h1-3,6-8,10-11,14,16,21H,4-5,9,12-13,15,17H2,(H2,24,25,27)
InChIKeyGZPDUBHOPPIIQV-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.41
Rot. Bonds8

About 1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea

1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea (PubChem CID 78877780) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
PubChem CID78877780
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
SMILESO=C(NCCCn1ccc2ccccc21)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C23H27N3O3/c27-23(24-12-5-13-26-14-11-18-6-1-2-10-22(18)26)25-19-7-3-8-20(16-19)29-17-21-9-4-15-28-21/h1-3,6-8,10-11,14,16,21H,4-5,9,12-13,15,17H2,(H2,24,25,27)
InChIKeyGZPDUBHOPPIIQV-UHFFFAOYSA-N
XLogP4.41
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 78882935
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
4-[[[3-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122075807
2-(9-oxoacridin-10-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 42950421
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
N-[3-[[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111341154
1-(3-chlorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 17423697
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40881802

Frequently Asked Questions

What is the IUPAC name of 1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea?
The IUPAC name of 1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea (CID 78877780) is 1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea is O=C(NCCCn1ccc2ccccc21)Nc1cccc(OCC2CCCO2)c1.
What is the InChIKey of 1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea?
The InChIKey is GZPDUBHOPPIIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-23(24-12-5-13-26-14-11-18-6-1-2-10-22(18)26)25-19-7-3-8-20(16-19)29-17-21-9-4-15-28-21/h1-3,6-8,10-11,14,16,21H,4-5,9,12-13,15,17H2,(H2,24,25,27).
What are the key properties of 1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea?
1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea has a molecular weight of 393.49 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea is sourced from PubChem (CID 78877780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).