1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea

C16H24N2O2 — CID 111383992

IUPAC1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC(CCO)C1CCCCC1
InChIInChI=1S/C16H24N2O2/c19-12-11-15(13-7-3-1-4-8-13)18-16(20)17-14-9-5-2-6-10-14/h2,5-6,9-10,13,15,19H,1,3-4,7-8,11-12H2,(H2,17,18,20)
InChIKeyRISMXXKROURVSJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.14
Rot. Bonds5

About 1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea

1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea (PubChem CID 111383992) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea
PubChem CID111383992
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC(CCO)C1CCCCC1
InChIInChI=1S/C16H24N2O2/c19-12-11-15(13-7-3-1-4-8-13)18-16(20)17-14-9-5-2-6-10-14/h2,5-6,9-10,13,15,19H,1,3-4,7-8,11-12H2,(H2,17,18,20)
InChIKeyRISMXXKROURVSJ-UHFFFAOYSA-N
XLogP3.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
4-[[(1-cyclohexyl-3-hydroxypropyl)carbamoylamino]methyl]benzoic acid
CID 122020232
3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide
CID 154868296
1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea
CID 166262712
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
2-anilino-2-cyclopentylethanol
CID 62071600
N-(2-amino-1-cyclopropylethyl)-2-(phenylcarbamoylamino)propanamide
CID 119615052
1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea
CID 106737757
N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide
CID 119591792
N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide
CID 111798802
N-(1-cyclohexyl-3-hydroxypropyl)-4-(difluoromethoxy)benzamide
CID 75384179
N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide
CID 110025916

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea?
The IUPAC name of 1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea (CID 111383992) is 1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea.
What is the SMILES notation for 1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea?
The canonical SMILES for 1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea is O=C(Nc1ccccc1)NC(CCO)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea?
The InChIKey is RISMXXKROURVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-12-11-15(13-7-3-1-4-8-13)18-16(20)17-14-9-5-2-6-10-14/h2,5-6,9-10,13,15,19H,1,3-4,7-8,11-12H2,(H2,17,18,20).
What are the key properties of 1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea?
1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea has a molecular weight of 276.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea is sourced from PubChem (CID 111383992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).