1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea

C17H28N2O2 — CID 95972895

IUPAC1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea
SMILESCCC[C@](C)(CO)NC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-6-11-17(5,12-20)19-15(21)18-14-10-8-7-9-13(14)16(2,3)4/h7-10,20H,6,11-12H2,1-5H3,(H2,18,19,21)/t17-/m1/s1
InChIKeyMUWZJWQRWOWYAE-QGZVFWFLSA-N
MW292.42 g/mol
LogP3.66
Rot. Bonds5

About 1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea

1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea (PubChem CID 95972895) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea
PubChem CID95972895
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea
SMILESCCC[C@](C)(CO)NC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-6-11-17(5,12-20)19-15(21)18-14-10-8-7-9-13(14)16(2,3)4/h7-10,20H,6,11-12H2,1-5H3,(H2,18,19,21)/t17-/m1/s1
InChIKeyMUWZJWQRWOWYAE-QGZVFWFLSA-N
XLogP3.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
CID 111754129
1-(2,3-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111926195
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111754474
1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 111754914
2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
CID 119399942
1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754119
N-(2-tert-butylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530240
1-(2-chloro-4-methoxyphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754789
1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea
CID 111714218
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111926481
2-bromo-N-(2-tert-butylphenyl)butanamide
CID 62855574
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea?
The IUPAC name of 1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea (CID 95972895) is 1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea is CCC[C@](C)(CO)NC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea?
The InChIKey is MUWZJWQRWOWYAE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-11-17(5,12-20)19-15(21)18-14-10-8-7-9-13(14)16(2,3)4/h7-10,20H,6,11-12H2,1-5H3,(H2,18,19,21)/t17-/m1/s1.
What are the key properties of 1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea?
1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea has a molecular weight of 292.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea is sourced from PubChem (CID 95972895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).