1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea

C13H20N2O2 — CID 108895856

IUPAC1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea
SMILESCCN(C(=O)Nc1cccc(O)c1)C(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-5-15(13(2,3)4)12(17)14-10-7-6-8-11(16)9-10/h6-9,16H,5H2,1-4H3,(H,14,17)
InChIKeyMZVTWKCHNMZUHH-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.04
Rot. Bonds2

About 1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea

1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea (PubChem CID 108895856) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea
PubChem CID108895856
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea
SMILESCCN(C(=O)Nc1cccc(O)c1)C(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-5-15(13(2,3)4)12(17)14-10-7-6-8-11(16)9-10/h6-9,16H,5H2,1-4H3,(H,14,17)
InChIKeyMZVTWKCHNMZUHH-UHFFFAOYSA-N
XLogP3.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea
CID 108894089
1-tert-butyl-3-(3,4-dichlorophenyl)-1-ethylurea
CID 108866426
3-(4-bromophenyl)-1-tert-butyl-1-ethylurea
CID 108869301
2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62818347
3-[tert-butyl-[(3-fluorophenyl)carbamoyl]amino]propanoic acid
CID 61030209
2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180
2-[ethyl-[(3-nitrophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62817628
3-(ethylamino)phenol
CID 578991
butan-2-ylcarbamic acid;3-(3-hydroxyphenyl)-1,1-dimethylurea
CID 21117437
N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide
CID 70969144
1-benzyl-1-tert-butyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3487348
3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108895704

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea?
The IUPAC name of 1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea (CID 108895856) is 1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea.
What is the SMILES notation for 1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea?
The canonical SMILES for 1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea is CCN(C(=O)Nc1cccc(O)c1)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea?
The InChIKey is MZVTWKCHNMZUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-15(13(2,3)4)12(17)14-10-7-6-8-11(16)9-10/h6-9,16H,5H2,1-4H3,(H,14,17).
What are the key properties of 1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea?
1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea has a molecular weight of 236.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea is sourced from PubChem (CID 108895856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).