1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea

C17H20N2O2 — CID 95318710

IUPAC1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea
SMILESCC[C@](CO)(NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-17(13-20,14-9-5-3-6-10-14)19-16(21)18-15-11-7-4-8-12-15/h3-12,20H,2,13H2,1H3,(H2,18,19,21)/t17-/m1/s1
InChIKeyAIMYNEMZXRYKEW-QGZVFWFLSA-N
MW284.36 g/mol
LogP3.11
Rot. Bonds5

About 1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea

1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea (PubChem CID 95318710) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea
PubChem CID95318710
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea
SMILESCC[C@](CO)(NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-17(13-20,14-9-5-3-6-10-14)19-16(21)18-15-11-7-4-8-12-15/h3-12,20H,2,13H2,1H3,(H2,18,19,21)/t17-/m1/s1
InChIKeyAIMYNEMZXRYKEW-QGZVFWFLSA-N
XLogP3.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
CID 115621952
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
CID 108867208
(1-amino-2-phenylbutan-2-yl)carbamic acid
CID 174540690
1-[4-(2-cyanopropan-2-yl)phenyl]-3-(2-phenylbutan-2-yl)urea
CID 86899617
1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 71924647
2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
1-methyl-3-phenylurea;propane
CID 142949663
1-[dichloro-(phenylcarbamoylamino)methyl]-3-phenylurea
CID 3516475
1-[(2S)-2-hydroxy-2-methylbutyl]-3-phenylurea
CID 94797729
1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea
CID 71878380
2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide
CID 551560

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea?
The IUPAC name of 1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea (CID 95318710) is 1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea?
The canonical SMILES for 1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea is CC[C@](CO)(NC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea?
The InChIKey is AIMYNEMZXRYKEW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-17(13-20,14-9-5-3-6-10-14)19-16(21)18-15-11-7-4-8-12-15/h3-12,20H,2,13H2,1H3,(H2,18,19,21)/t17-/m1/s1.
What are the key properties of 1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea?
1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea has a molecular weight of 284.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea is sourced from PubChem (CID 95318710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).