1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea

C20H29N3O3 — CID 112984243

IUPAC1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCC3(CC2)OCCO3)cc1)NC1CCCCC1
InChIInChI=1S/C20H29N3O3/c24-19(21-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-12-10-20(11-13-23)25-14-15-26-20/h6-9,16H,1-5,10-15H2,(H2,21,22,24)
InChIKeyIWPBGXZTOLKXHV-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.48
Rot. Bonds3

About 1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea

1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea (PubChem CID 112984243) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea
PubChem CID112984243
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCC3(CC2)OCCO3)cc1)NC1CCCCC1
InChIInChI=1S/C20H29N3O3/c24-19(21-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-12-10-20(11-13-23)25-14-15-26-20/h6-9,16H,1-5,10-15H2,(H2,21,22,24)
InChIKeyIWPBGXZTOLKXHV-UHFFFAOYSA-N
XLogP3.48
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
CID 110369688
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 110621034
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide
CID 112984191
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]cyclohexanecarboxamide
CID 113029109
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide
CID 112984216
N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108942640
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea
CID 112981733
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide
CID 112984204
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea (CID 112984243) is 1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea is O=C(Nc1ccc(N2CCC3(CC2)OCCO3)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea?
The InChIKey is IWPBGXZTOLKXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(21-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-12-10-20(11-13-23)25-14-15-26-20/h6-9,16H,1-5,10-15H2,(H2,21,22,24).
What are the key properties of 1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea?
1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea has a molecular weight of 359.47 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea is sourced from PubChem (CID 112984243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).