1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea

C20H26N2O2 — CID 112972433

IUPAC1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
SMILESCc1cccc(C)c1NC(=O)NCCOc1cccc(C(C)C)c1
InChIInChI=1S/C20H26N2O2/c1-14(2)17-9-6-10-18(13-17)24-12-11-21-20(23)22-19-15(3)7-5-8-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H2,21,22,23)
InChIKeyZBSANMRSXBHPDZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.63
Rot. Bonds6

About 1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea

1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea (PubChem CID 112972433) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
PubChem CID112972433
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
SMILESCc1cccc(C)c1NC(=O)NCCOc1cccc(C(C)C)c1
InChIInChI=1S/C20H26N2O2/c1-14(2)17-9-6-10-18(13-17)24-12-11-21-20(23)22-19-15(3)7-5-8-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H2,21,22,23)
InChIKeyZBSANMRSXBHPDZ-UHFFFAOYSA-N
XLogP4.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972410
1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972467
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972492
1-[4-(diethylamino)phenyl]-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972476
1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973189
2-oxo-2-[2-(3-propan-2-ylphenoxy)ethylamino]acetic acid
CID 94690399
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 112976378
1-(1,3-benzodioxol-5-yl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972484
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972385
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939
1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972102
N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide
CID 113100261

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea (CID 112972433) is 1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea is Cc1cccc(C)c1NC(=O)NCCOc1cccc(C(C)C)c1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is ZBSANMRSXBHPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)17-9-6-10-18(13-17)24-12-11-21-20(23)22-19-15(3)7-5-8-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea?
1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 326.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 112972433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).