1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea

C19H24ClN3O2 — CID 108882793

IUPAC1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea
SMILESCC(C)(C)c1ccc(OCCCNC(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C19H24ClN3O2/c1-19(2,3)14-7-9-15(10-8-14)25-13-5-12-22-18(24)23-16-6-4-11-21-17(16)20/h4,6-11H,5,12-13H2,1-3H3,(H2,22,23,24)
InChIKeyUALYGALYWIGVQG-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.62
Rot. Bonds6

About 1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea

1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea (PubChem CID 108882793) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea
PubChem CID108882793
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea
SMILESCC(C)(C)c1ccc(OCCCNC(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C19H24ClN3O2/c1-19(2,3)14-7-9-15(10-8-14)25-13-5-12-22-18(24)23-16-6-4-11-21-17(16)20/h4,6-11H,5,12-13H2,1-3H3,(H2,22,23,24)
InChIKeyUALYGALYWIGVQG-UHFFFAOYSA-N
XLogP4.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-tert-butylphenoxy)propyl]-3-quinolin-8-ylurea
CID 108882910
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
1-(4-amino-2-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882763
1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea
CID 108882902
1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112972906
1-[3-(4-tert-butylphenoxy)propyl]-3-(6-methyl-2-pyridinyl)urea
CID 108882838
1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea
CID 108895086
1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
CID 108882801
1-butyl-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882694
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea
CID 108882865
1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882764

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea?
The IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea (CID 108882793) is 1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea.
What is the SMILES notation for 1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea?
The canonical SMILES for 1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea is CC(C)(C)c1ccc(OCCCNC(=O)Nc2cccnc2Cl)cc1.
What is the InChIKey of 1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea?
The InChIKey is UALYGALYWIGVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-19(2,3)14-7-9-15(10-8-14)25-13-5-12-22-18(24)23-16-6-4-11-21-17(16)20/h4,6-11H,5,12-13H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea?
1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea has a molecular weight of 361.87 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea is sourced from PubChem (CID 108882793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).