1-tert-butyl-1-phenylurea

C11H16N2O — CID 19102233

IUPAC1-tert-butyl-1-phenylurea
SMILESCC(C)(C)N(C(N)=O)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-11(2,3)13(10(12)14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,12,14)
InChIKeyGWGXEZACFSMBHX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.37
Rot. Bonds1

About 1-tert-butyl-1-phenylurea

1-tert-butyl-1-phenylurea (PubChem CID 19102233) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-tert-butyl-1-phenylurea.

Molecular Properties

Compound Name1-tert-butyl-1-phenylurea
PubChem CID19102233
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-tert-butyl-1-phenylurea
SMILESCC(C)(C)N(C(N)=O)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-11(2,3)13(10(12)14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,12,14)
InChIKeyGWGXEZACFSMBHX-UHFFFAOYSA-N
XLogP2.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-1-phenylguanidine
CID 23103889
N'-tert-butyl-N,N'-diphenyloxamide
CID 141062085
1,1-diphenylurea
CID 174849888
N-tert-butyl-N-(4-tert-butylphenyl)benzamide
CID 517588
1-methyl-1-(N-methylanilino)urea
CID 154254582
(2-aminophenyl)-tert-butylcarbamic acid
CID 66632268
1-methylsulfonyl-1-phenylurea
CID 67458693
butane;1,1-diphenylurea
CID 70397101
1-methoxy-1-phenylurea
CID 15620442
N-tert-butyl-2,4-dichloro-N-phenylbenzamide
CID 91801665
1-tert-butyl-1-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 70103958
tert-butyl N-phenyl-N-(trifluoromethyl)carbamate
CID 69487497

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-phenylurea?
The IUPAC name of 1-tert-butyl-1-phenylurea (CID 19102233) is 1-tert-butyl-1-phenylurea.
What is the SMILES notation for 1-tert-butyl-1-phenylurea?
The canonical SMILES for 1-tert-butyl-1-phenylurea is CC(C)(C)N(C(N)=O)c1ccccc1.
What is the InChIKey of 1-tert-butyl-1-phenylurea?
The InChIKey is GWGXEZACFSMBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,3)13(10(12)14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,12,14).
What are the key properties of 1-tert-butyl-1-phenylurea?
1-tert-butyl-1-phenylurea has a molecular weight of 192.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-phenylurea is sourced from PubChem (CID 19102233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).