1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea

C17H26N2O2 — CID 111473593

IUPAC1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea
SMILESCCCc1ccccc1NC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C17H26N2O2/c1-2-6-14-8-3-4-10-16(14)19-17(21)18-12-13-7-5-9-15(20)11-13/h3-4,8,10,13,15,20H,2,5-7,9,11-12H2,1H3,(H2,18,19,21)
InChIKeyBZBSIGKLSVBSRS-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.31
Rot. Bonds5

About 1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea

1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea (PubChem CID 111473593) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea
PubChem CID111473593
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea
SMILESCCCc1ccccc1NC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C17H26N2O2/c1-2-6-14-8-3-4-10-16(14)19-17(21)18-12-13-7-5-9-15(20)11-13/h3-4,8,10,13,15,20H,2,5-7,9,11-12H2,1H3,(H2,18,19,21)
InChIKeyBZBSIGKLSVBSRS-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827
1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474346
1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472680
1-(2-chlorophenyl)-3-[[(1S,3S)-3-[[(2-chlorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27138030
1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472992
1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473171
1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472842
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
1-[(3-hydroxycyclohexyl)methyl]-3-(2-phenylbutyl)urea
CID 111504109
N'-(2,3-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490668
1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea
CID 97147839

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea (CID 111473593) is 1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea is CCCc1ccccc1NC(=O)NCC1CCCC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea?
The InChIKey is BZBSIGKLSVBSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-6-14-8-3-4-10-16(14)19-17(21)18-12-13-7-5-9-15(20)11-13/h3-4,8,10,13,15,20H,2,5-7,9,11-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea?
1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea has a molecular weight of 290.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea is sourced from PubChem (CID 111473593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).