3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea

C18H24ClN3O3 — CID 118738739

IUPAC3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C18H24ClN3O3/c1-21(2)17(24)20-15-11-18(25-12-15)7-9-22(10-8-18)16(23)13-3-5-14(19)6-4-13/h3-6,15H,7-12H2,1-2H3,(H,20,24)
InChIKeyKIGGXGDGKAZKGW-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.37
Rot. Bonds2

About 3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea

3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea (PubChem CID 118738739) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea
PubChem CID118738739
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C18H24ClN3O3/c1-21(2)17(24)20-15-11-18(25-12-15)7-9-22(10-8-18)16(23)13-3-5-14(19)6-4-13/h3-6,15H,7-12H2,1-2H3,(H,20,24)
InChIKeyKIGGXGDGKAZKGW-UHFFFAOYSA-N
XLogP2.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea 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 3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea?
The IUPAC name of 3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea (CID 118738739) is 3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea is CN(C)C(=O)NC1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea?
The InChIKey is KIGGXGDGKAZKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-21(2)17(24)20-15-11-18(25-12-15)7-9-22(10-8-18)16(23)13-3-5-14(19)6-4-13/h3-6,15H,7-12H2,1-2H3,(H,20,24).
What are the key properties of 3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea?
3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea has a molecular weight of 365.86 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(4-chlorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea is sourced from PubChem (CID 118738739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).