1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea

C14H22N2O2 — CID 111754129

IUPAC1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
SMILESCCCC(C)(CO)NC(=O)Nc1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-4-9-14(3,10-17)16-13(18)15-12-8-6-5-7-11(12)2/h5-8,17H,4,9-10H2,1-3H3,(H2,15,16,18)
InChIKeyNIISIVDVYHRJSZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.67
Rot. Bonds5

About 1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea

1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea (PubChem CID 111754129) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
PubChem CID111754129
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
SMILESCCCC(C)(CO)NC(=O)Nc1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-4-9-14(3,10-17)16-13(18)15-12-8-6-5-7-11(12)2/h5-8,17H,4,9-10H2,1-3H3,(H2,15,16,18)
InChIKeyNIISIVDVYHRJSZ-UHFFFAOYSA-N
XLogP2.67
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea
CID 95972895
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
1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754639
2-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-(2-methylphenyl)acetamide
CID 64550174
1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754119
1-(2-chloro-4-methoxyphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754789
2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol
CID 111432021
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111926481
2-methyl-2-(2-methylanilino)propane-1,3-diol
CID 130509283
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea (CID 111754129) is 1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea is CCCC(C)(CO)NC(=O)Nc1ccccc1C.
What is the InChIKey of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea?
The InChIKey is NIISIVDVYHRJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9-14(3,10-17)16-13(18)15-12-8-6-5-7-11(12)2/h5-8,17H,4,9-10H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea?
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea has a molecular weight of 250.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 111754129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).