1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea

C18H28N2O2 — CID 121112417

IUPAC1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
SMILESO=C(NCCC(CCO)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C18H28N2O2/c21-14-12-16(15-7-3-1-4-8-15)11-13-19-18(22)20-17-9-5-2-6-10-17/h1,3-4,7-8,16-17,21H,2,5-6,9-14H2,(H2,19,20,22)
InChIKeyBSKVXWGKLQQAKN-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.17
Rot. Bonds7

About 1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea

1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea (PubChem CID 121112417) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
PubChem CID121112417
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
SMILESO=C(NCCC(CCO)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C18H28N2O2/c21-14-12-16(15-7-3-1-4-8-15)11-13-19-18(22)20-17-9-5-2-6-10-17/h1,3-4,7-8,16-17,21H,2,5-6,9-14H2,(H2,19,20,22)
InChIKeyBSKVXWGKLQQAKN-UHFFFAOYSA-N
XLogP3.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112411
1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450416
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea
CID 892266
2-[4-(cyclohexylcarbamoylamino)butanoylamino]-2-phenylacetic acid
CID 119113414
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea
CID 100676156

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea?
The IUPAC name of 1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea (CID 121112417) is 1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea is O=C(NCCC(CCO)c1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea?
The InChIKey is BSKVXWGKLQQAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-14-12-16(15-7-3-1-4-8-15)11-13-19-18(22)20-17-9-5-2-6-10-17/h1,3-4,7-8,16-17,21H,2,5-6,9-14H2,(H2,19,20,22).
What are the key properties of 1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea?
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea has a molecular weight of 304.43 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea is sourced from PubChem (CID 121112417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).