1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea

C18H29N3O3 — CID 112834635

IUPAC1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
SMILESCC(C)Oc1ncccc1NC(=O)NCCCOC1CCCCC1
InChIInChI=1S/C18H29N3O3/c1-14(2)24-17-16(10-6-11-19-17)21-18(22)20-12-7-13-23-15-8-4-3-5-9-15/h6,10-11,14-15H,3-5,7-9,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyIJEJGQATFGXBRV-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.73
Rot. Bonds8

About 1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea

1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea (PubChem CID 112834635) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
PubChem CID112834635
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
SMILESCC(C)Oc1ncccc1NC(=O)NCCCOC1CCCCC1
InChIInChI=1S/C18H29N3O3/c1-14(2)24-17-16(10-6-11-19-17)21-18(22)20-12-7-13-23-15-8-4-3-5-9-15/h6,10-11,14-15H,3-5,7-9,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyIJEJGQATFGXBRV-UHFFFAOYSA-N
XLogP3.73
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.73
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-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112831617
1-(3-cyclopentyloxypropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 49110487
2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
4-(propan-2-ylamino)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379540
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
2-(1-aminocyclohexyl)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
CID 64677402
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 61379626
1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
CID 27870222
1-(3-cyclohexyloxypropyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111396907
2-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275790
(2R)-N-(3-cyclohexyloxypropyl)-2-(2-methylimidazol-1-yl)propanamide
CID 126448035

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea?
The IUPAC name of 1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea (CID 112834635) is 1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea.
What is the SMILES notation for 1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea?
The canonical SMILES for 1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea is CC(C)Oc1ncccc1NC(=O)NCCCOC1CCCCC1.
What is the InChIKey of 1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea?
The InChIKey is IJEJGQATFGXBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14(2)24-17-16(10-6-11-19-17)21-18(22)20-12-7-13-23-15-8-4-3-5-9-15/h6,10-11,14-15H,3-5,7-9,12-13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea?
1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea has a molecular weight of 335.45 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea is sourced from PubChem (CID 112834635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).