1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea

C19H26N2O3 — CID 124887284

IUPAC1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea
SMILESO=C(NC1CC(c2ccccc2)C1)N[C@@H]1CCO[C@@]2(CCOC2)C1
InChIInChI=1S/C19H26N2O3/c22-18(20-16-6-8-24-19(12-16)7-9-23-13-19)21-17-10-15(11-17)14-4-2-1-3-5-14/h1-5,15-17H,6-13H2,(H2,20,21,22)/t15?,16-,17?,19+/m1/s1
InChIKeyRLCWTSBRLGAGOD-AFNJWWOFSA-N
MW330.43 g/mol
LogP2.57
Rot. Bonds3

About 1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea

1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea (PubChem CID 124887284) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea.

Molecular Properties

Compound Name1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea
PubChem CID124887284
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea
SMILESO=C(NC1CC(c2ccccc2)C1)N[C@@H]1CCO[C@@]2(CCOC2)C1
InChIInChI=1S/C19H26N2O3/c22-18(20-16-6-8-24-19(12-16)7-9-23-13-19)21-17-10-15(11-17)14-4-2-1-3-5-14/h1-5,15-17H,6-13H2,(H2,20,21,22)/t15?,16-,17?,19+/m1/s1
InChIKeyRLCWTSBRLGAGOD-AFNJWWOFSA-N
XLogP2.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea?
The IUPAC name of 1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea (CID 124887284) is 1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea.
What is the SMILES notation for 1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea?
The canonical SMILES for 1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea is O=C(NC1CC(c2ccccc2)C1)N[C@@H]1CCO[C@@]2(CCOC2)C1.
What is the InChIKey of 1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea?
The InChIKey is RLCWTSBRLGAGOD-AFNJWWOFSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(20-16-6-8-24-19(12-16)7-9-23-13-19)21-17-10-15(11-17)14-4-2-1-3-5-14/h1-5,15-17H,6-13H2,(H2,20,21,22)/t15?,16-,17?,19+/m1/s1.
What are the key properties of 1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea?
1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea has a molecular weight of 330.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea is sourced from PubChem (CID 124887284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).