1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea

C16H26N2O2 — CID 71924647

IUPAC1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCC(C)(CO)NC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-6-16(5,11-19)18-14(20)17-13-9-7-12(8-10-13)15(2,3)4/h7-10,19H,6,11H2,1-5H3,(H2,17,18,20)
InChIKeyYGHBDNKOCQCFLO-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.27
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea

1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 71924647) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
PubChem CID71924647
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCC(C)(CO)NC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-6-16(5,11-19)18-14(20)17-13-9-7-12(8-10-13)15(2,3)4/h7-10,19H,6,11H2,1-5H3,(H2,17,18,20)
InChIKeyYGHBDNKOCQCFLO-UHFFFAOYSA-N
XLogP3.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111925858
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
4-(carbamoylamino)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64555959
1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754119
2-[4-(3-methylpentan-3-ylcarbamoylamino)phenyl]acetic acid
CID 106330639
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60781787
1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926319
1-(3,5-difluoro-4-methoxyphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754716
1-[3-(ethylsulfanylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926572
1-(4-tert-butylphenyl)-3-(chloromethyl)urea
CID 142021832
1-[3-(tert-butylsulfinylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754902

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea (CID 71924647) is 1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea is CCC(C)(CO)NC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is YGHBDNKOCQCFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-16(5,11-19)18-14(20)17-13-9-7-12(8-10-13)15(2,3)4/h7-10,19H,6,11H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 278.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 71924647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).