1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea

C24H28N2O2 — CID 108882865

IUPAC1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea
SMILESCC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H28N2O2/c1-24(2,3)20-10-13-22(14-11-20)28-16-6-15-25-23(27)26-21-12-9-18-7-4-5-8-19(18)17-21/h4-5,7-14,17H,6,15-16H2,1-3H3,(H2,25,26,27)
InChIKeyXGTGRSRNBOVFAI-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.73
Rot. Bonds6

About 1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea

1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea (PubChem CID 108882865) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea
PubChem CID108882865
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea
SMILESCC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H28N2O2/c1-24(2,3)20-10-13-22(14-11-20)28-16-6-15-25-23(27)26-21-12-9-18-7-4-5-8-19(18)17-21/h4-5,7-14,17H,6,15-16H2,1-3H3,(H2,25,26,27)
InChIKeyXGTGRSRNBOVFAI-UHFFFAOYSA-N
XLogP5.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-(4-tert-butylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108882674
1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea
CID 108882902
1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882764
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
1-[3-(4-tert-butylphenoxy)propyl]-3-(3-nitrophenyl)urea
CID 108882747
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
1-[3-(4-tert-butylphenoxy)propyl]-3-(6-methyl-2-pyridinyl)urea
CID 108882838
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 112972923
1-[2-(4-tert-butylphenoxy)ethyl]-3-(4-cyanophenyl)urea
CID 112972931
1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
CID 108882801
1-butyl-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882694
1-[3-(4-tert-butylphenoxy)propyl]-3-quinolin-8-ylurea
CID 108882910

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea (CID 108882865) is 1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea is CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea?
The InChIKey is XGTGRSRNBOVFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-24(2,3)20-10-13-22(14-11-20)28-16-6-15-25-23(27)26-21-12-9-18-7-4-5-8-19(18)17-21/h4-5,7-14,17H,6,15-16H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea?
1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea has a molecular weight of 376.50 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 108882865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).