1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea

C14H22N2O — CID 727879

IUPAC1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)9-10-15-13(17)16-14(2,3)4/h5-8H,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyLYLBWAJKHAOCLX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.64
Rot. Bonds3

About 1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea

1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 727879) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID727879
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)9-10-15-13(17)16-14(2,3)4/h5-8H,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyLYLBWAJKHAOCLX-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Formetamide
CID 65614
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
Phenethylurea
CID 75089
N,N'-Bis(2-phenylethyl)urea
CID 95244
1-Benzyl-3-cyclohexylurea
CID 544877
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
Urea, (2-cyclohexyl-2-phenylethyl)-
CID 6472454
1-Benzyl-3-(2-phenylethyl)urea
CID 3745478
N-(tert-butyl)-N'-phenethylurea
CID 306674
1-Tert-butyl-3-(alpha-methylbenzyl)urea
CID 306576
1-Benzyl-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 790168
N-[(4-methylphenyl)(phenyl)methyl]urea
CID 2850258

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea (CID 727879) is 1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)NC(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is LYLBWAJKHAOCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)9-10-15-13(17)16-14(2,3)4/h5-8H,9-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea?
1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 234.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 727879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).