1-[(4-tert-butylphenyl)methyl]-3-ethylurea

C14H22N2O — CID 46839246

IUPAC1-[(4-tert-butylphenyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-5-15-13(17)16-10-11-6-8-12(9-7-11)14(2,3)4/h6-9H,5,10H2,1-4H3,(H2,15,16,17)
InChIKeyPPKLLUPZPQULKB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.80
Rot. Bonds3

About 1-[(4-tert-butylphenyl)methyl]-3-ethylurea

1-[(4-tert-butylphenyl)methyl]-3-ethylurea (PubChem CID 46839246) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-3-ethylurea
PubChem CID46839246
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(4-tert-butylphenyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-5-15-13(17)16-10-11-6-8-12(9-7-11)14(2,3)4/h6-9H,5,10H2,1-4H3,(H2,15,16,17)
InChIKeyPPKLLUPZPQULKB-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
Benzylurea
CID 10853
Phenethylurea
CID 75089
1-Benzyl-3-cyclohexylurea
CID 544877
N-(Diphenylmethyl)urea
CID 95253
2-(N-Butylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline
CID 2900185
N-hydroxy-N-[1-(4-isobutylphenyl)ethyl]urea
CID 10561814
Urea, (2-cyclohexyl-2-phenylethyl)-
CID 6472454
1-Benzyl-3-(2-phenylethyl)urea
CID 3745478
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
N-(tert-butyl)-N'-phenethylurea
CID 306674

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-3-ethylurea?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-3-ethylurea (CID 46839246) is 1-[(4-tert-butylphenyl)methyl]-3-ethylurea.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-3-ethylurea?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-3-ethylurea is CCNC(=O)NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-3-ethylurea?
The InChIKey is PPKLLUPZPQULKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-15-13(17)16-10-11-6-8-12(9-7-11)14(2,3)4/h6-9H,5,10H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-3-ethylurea?
1-[(4-tert-butylphenyl)methyl]-3-ethylurea has a molecular weight of 234.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-3-ethylurea is sourced from PubChem (CID 46839246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).