1-(4-hydroxybutan-2-yl)-3-phenylurea

C11H16N2O2 — CID 78998445

IUPAC1-(4-hydroxybutan-2-yl)-3-phenylurea
SMILESCC(CCO)NC(=O)Nc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-9(7-8-14)12-11(15)13-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H2,12,13,15)
InChIKeyVNPUDZUPXVLTFG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.58
Rot. Bonds4

About 1-(4-hydroxybutan-2-yl)-3-phenylurea

1-(4-hydroxybutan-2-yl)-3-phenylurea (PubChem CID 78998445) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-hydroxybutan-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-hydroxybutan-2-yl)-3-phenylurea
PubChem CID78998445
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(4-hydroxybutan-2-yl)-3-phenylurea
SMILESCC(CCO)NC(=O)Nc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-9(7-8-14)12-11(15)13-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H2,12,13,15)
InChIKeyVNPUDZUPXVLTFG-UHFFFAOYSA-N
XLogP1.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea
CID 86702389
1-pent-4-yn-2-yl-3-phenylurea
CID 115661055
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
(3S)-3-(phenylcarbamoylamino)butanamide
CID 95777024
1-(4-tert-butylsulfanylphenyl)-3-[(2R)-4-hydroxybutan-2-yl]urea
CID 95774131
1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea
CID 111383992
1-[4-(dimethylsulfamoyl)phenyl]-3-(4-hydroxybutan-2-yl)urea
CID 146089010
2-methyl-N-[4-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945465
2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945466
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutan-2-yl)-3-phenylurea?
The IUPAC name of 1-(4-hydroxybutan-2-yl)-3-phenylurea (CID 78998445) is 1-(4-hydroxybutan-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(4-hydroxybutan-2-yl)-3-phenylurea?
The canonical SMILES for 1-(4-hydroxybutan-2-yl)-3-phenylurea is CC(CCO)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(4-hydroxybutan-2-yl)-3-phenylurea?
The InChIKey is VNPUDZUPXVLTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(7-8-14)12-11(15)13-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H2,12,13,15).
What are the key properties of 1-(4-hydroxybutan-2-yl)-3-phenylurea?
1-(4-hydroxybutan-2-yl)-3-phenylurea has a molecular weight of 208.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutan-2-yl)-3-phenylurea is sourced from PubChem (CID 78998445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).