1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea

C17H26N2O — CID 67522114

IUPAC1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea
SMILESCc1cccc(C(C)(C)C)c1NC(=O)NC1CCCC1
InChIInChI=1S/C17H26N2O/c1-12-8-7-11-14(17(2,3)4)15(12)19-16(20)18-13-9-5-6-10-13/h7-8,11,13H,5-6,9-10H2,1-4H3,(H2,18,19,20)
InChIKeyRZHIROJHULOSGH-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.36
Rot. Bonds2

About 1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea

1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea (PubChem CID 67522114) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea.

Molecular Properties

Compound Name1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea
PubChem CID67522114
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea
SMILESCc1cccc(C(C)(C)C)c1NC(=O)NC1CCCC1
InChIInChI=1S/C17H26N2O/c1-12-8-7-11-14(17(2,3)4)15(12)19-16(20)18-13-9-5-6-10-13/h7-8,11,13H,5-6,9-10H2,1-4H3,(H2,18,19,20)
InChIKeyRZHIROJHULOSGH-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
N-cycloheptyl-N'-(2,6-dimethylphenyl)oxamide
CID 7541637
1-(3-tert-butylphenyl)-3-cyclopentylurea
CID 58646048
1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61184202
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea
CID 124886303
N'-(2-tert-butylphenyl)-N-cycloheptyloxamide
CID 108530177
1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3820122

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea?
The IUPAC name of 1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea (CID 67522114) is 1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea.
What is the SMILES notation for 1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea?
The canonical SMILES for 1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea is Cc1cccc(C(C)(C)C)c1NC(=O)NC1CCCC1.
What is the InChIKey of 1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea?
The InChIKey is RZHIROJHULOSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-7-11-14(17(2,3)4)15(12)19-16(20)18-13-9-5-6-10-13/h7-8,11,13H,5-6,9-10H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea?
1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea has a molecular weight of 274.41 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea is sourced from PubChem (CID 67522114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).