[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea

C18H22N2O2 — CID 129255825

IUPAC[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea
SMILESCCC(C)(C)c1ccc(Oc2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-4-18(2,3)13-5-9-15(10-6-13)22-16-11-7-14(8-12-16)20-17(19)21/h5-12H,4H2,1-3H3,(H3,19,20,21)
InChIKeyJZRJMTPJBAQMHX-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.66
Rot. Bonds5

About [4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea

[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea (PubChem CID 129255825) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea.

Molecular Properties

Compound Name[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea
PubChem CID129255825
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea
SMILESCCC(C)(C)c1ccc(Oc2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-4-18(2,3)13-5-9-15(10-6-13)22-16-11-7-14(8-12-16)20-17(19)21/h5-12H,4H2,1-3H3,(H3,19,20,21)
InChIKeyJZRJMTPJBAQMHX-UHFFFAOYSA-N
XLogP4.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea 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

2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide
CID 4868535
5-bromo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]furan-2-carboxamide
CID 2435744
1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea
CID 121366725
1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-propan-2-ylthiourea
CID 23847644
dimethyl 2-(2-methylbutan-2-ylcarbamoyl)-4-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]carbamoyl]cyclobutane-1,3-dicarboxylate
CID 122577582
[4-(4-acetylphenoxy)phenyl]urea
CID 57193509
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 130284062
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
N-(4-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093193
N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093191
(E)-3-(2,4-dichlorophenyl)-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]prop-2-enamide
CID 2343566
1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide
CID 3949960

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea?
The IUPAC name of [4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea (CID 129255825) is [4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea.
What is the SMILES notation for [4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea?
The canonical SMILES for [4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea is CCC(C)(C)c1ccc(Oc2ccc(NC(N)=O)cc2)cc1.
What is the InChIKey of [4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea?
The InChIKey is JZRJMTPJBAQMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-18(2,3)13-5-9-15(10-6-13)22-16-11-7-14(8-12-16)20-17(19)21/h5-12H,4H2,1-3H3,(H3,19,20,21).
What are the key properties of [4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea?
[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea has a molecular weight of 298.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea is sourced from PubChem (CID 129255825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).