1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea

C17H26N2O2 — CID 110890419

IUPAC1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea
SMILESCCCCc1ccc(NC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-13-5-7-14(8-6-13)18-17(21)19-15-9-11-16(20)12-10-15/h5-8,15-16,20H,2-4,9-12H2,1H3,(H2,18,19,21)
InChIKeyDKEUHMOIKGUISJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.45
Rot. Bonds5

About 1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea

1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea (PubChem CID 110890419) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea
PubChem CID110890419
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea
SMILESCCCCc1ccc(NC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-13-5-7-14(8-6-13)18-17(21)19-15-9-11-16(20)12-10-15/h5-8,15-16,20H,2-4,9-12H2,1H3,(H2,18,19,21)
InChIKeyDKEUHMOIKGUISJ-UHFFFAOYSA-N
XLogP3.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(4-hexylphenyl)urea
CID 4231179
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate
CID 72940252
N'-(4-butylphenyl)-N-cycloheptyloxamide
CID 108502498
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-(1,1-dimethylpiperidin-1-ium-4-yl)-3-(4-octylphenyl)urea;2,2,2-trifluoroacetate
CID 68847192
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide
CID 55532868
1-(4-butylphenyl)-3-[5-(cyclopropylmethyl)-1H-pyrrol-3-yl]urea
CID 147415979
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea (CID 110890419) is 1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea is CCCCc1ccc(NC(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea?
The InChIKey is DKEUHMOIKGUISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-4-13-5-7-14(8-6-13)18-17(21)19-15-9-11-16(20)12-10-15/h5-8,15-16,20H,2-4,9-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea?
1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea has a molecular weight of 290.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 110890419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).