1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea

C18H26N2O3 — CID 71971678

IUPAC1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea
SMILESO=C(NCCCOC1CCOC1)NCC1CC1c1ccccc1
InChIInChI=1S/C18H26N2O3/c21-18(19-8-4-9-23-16-7-10-22-13-16)20-12-15-11-17(15)14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13H2,(H2,19,20,21)
InChIKeyUBTGRTZTSPYSBX-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.28
Rot. Bonds8

About 1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea

1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea (PubChem CID 71971678) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea
PubChem CID71971678
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea
SMILESO=C(NCCCOC1CCOC1)NCC1CC1c1ccccc1
InChIInChI=1S/C18H26N2O3/c21-18(19-8-4-9-23-16-7-10-22-13-16)20-12-15-11-17(15)14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13H2,(H2,19,20,21)
InChIKeyUBTGRTZTSPYSBX-UHFFFAOYSA-N
XLogP2.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea (CID 71971678) is 1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea is O=C(NCCCOC1CCOC1)NCC1CC1c1ccccc1.
What is the InChIKey of 1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea?
The InChIKey is UBTGRTZTSPYSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-18(19-8-4-9-23-16-7-10-22-13-16)20-12-15-11-17(15)14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13H2,(H2,19,20,21).
What are the key properties of 1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea?
1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea has a molecular weight of 318.42 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-3-yloxy)propyl]-3-[(2-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 71971678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).