1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea

C28H32N2O2 — CID 71128049

IUPAC1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea
SMILESCc1cccc(C(Cc2ccc(O)cc2)(NC(=O)NC2CCCC2)c2cccc(C)c2)c1
InChIInChI=1S/C28H32N2O2/c1-20-7-5-9-23(17-20)28(24-10-6-8-21(2)18-24,19-22-13-15-26(31)16-14-22)30-27(32)29-25-11-3-4-12-25/h5-10,13-18,25,31H,3-4,11-12,19H2,1-2H3,(H2,29,30,32)
InChIKeySLLWDZBMBFWDOL-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.74
Rot. Bonds6

About 1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea

1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea (PubChem CID 71128049) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea
PubChem CID71128049
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea
SMILESCc1cccc(C(Cc2ccc(O)cc2)(NC(=O)NC2CCCC2)c2cccc(C)c2)c1
InChIInChI=1S/C28H32N2O2/c1-20-7-5-9-23(17-20)28(24-10-6-8-21(2)18-24,19-22-13-15-26(31)16-14-22)30-27(32)29-25-11-3-4-12-25/h5-10,13-18,25,31H,3-4,11-12,19H2,1-2H3,(H2,29,30,32)
InChIKeySLLWDZBMBFWDOL-UHFFFAOYSA-N
XLogP5.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(cyclopentylcarbamoylamino)-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]acetic acid
CID 59458652
1-cyclopentyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethyl]urea
CID 71128001
1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 58921712
1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea
CID 70793640
1-cyclopentyl-3-[1-(4-fluoro-3-hydroxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]urea
CID 66791218
1-[(1R)-1-(5-amino-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethyl]-3-cyclopentylurea
CID 71195704
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
6-[3-[1-(cyclopentylcarbamoylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]phenyl]hexanoic acid
CID 59459040
1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
CID 23582339
1-cyclopentyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
CID 23582398
1-cyclopentyl-3-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-(4-propan-2-ylphenyl)ethyl]urea
CID 59458354
1-[1-[3-bromo-5-(trifluoromethyl)phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 59541308

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea (CID 71128049) is 1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea is Cc1cccc(C(Cc2ccc(O)cc2)(NC(=O)NC2CCCC2)c2cccc(C)c2)c1.
What is the InChIKey of 1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea?
The InChIKey is SLLWDZBMBFWDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-20-7-5-9-23(17-20)28(24-10-6-8-21(2)18-24,19-22-13-15-26(31)16-14-22)30-27(32)29-25-11-3-4-12-25/h5-10,13-18,25,31H,3-4,11-12,19H2,1-2H3,(H2,29,30,32).
What are the key properties of 1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea?
1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea has a molecular weight of 428.58 g/mol, XLogP of 5.74, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(4-hydroxyphenyl)-1,1-bis(3-methylphenyl)ethyl]urea is sourced from PubChem (CID 71128049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).