1-ethyl-3-(2-phenylpropan-2-yl)urea

C12H18N2O — CID 110490506

IUPAC1-ethyl-3-(2-phenylpropan-2-yl)urea
SMILESCCNC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-4-13-11(15)14-12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H2,13,14,15)
InChIKeyUXAGHEWASHKFOC-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.24
Rot. Bonds3

About 1-ethyl-3-(2-phenylpropan-2-yl)urea

1-ethyl-3-(2-phenylpropan-2-yl)urea (PubChem CID 110490506) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-ethyl-3-(2-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-phenylpropan-2-yl)urea
PubChem CID110490506
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-ethyl-3-(2-phenylpropan-2-yl)urea
SMILESCCNC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-4-13-11(15)14-12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H2,13,14,15)
InChIKeyUXAGHEWASHKFOC-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate
CID 110490508
(2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 114264145
2-phenylpropan-2-ylcarbamic acid
CID 23445609
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea
CID 113216277
3-bromo-N-(2-phenylpropan-2-yl)propanamide
CID 13142348
3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid
CID 110490526
1-methyl-3-(2-phenylpropan-2-yl)thiourea
CID 13065164
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316
1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea
CID 115635344

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-phenylpropan-2-yl)urea?
The IUPAC name of 1-ethyl-3-(2-phenylpropan-2-yl)urea (CID 110490506) is 1-ethyl-3-(2-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(2-phenylpropan-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(2-phenylpropan-2-yl)urea is CCNC(=O)NC(C)(C)c1ccccc1.
What is the InChIKey of 1-ethyl-3-(2-phenylpropan-2-yl)urea?
The InChIKey is UXAGHEWASHKFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-13-11(15)14-12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-ethyl-3-(2-phenylpropan-2-yl)urea?
1-ethyl-3-(2-phenylpropan-2-yl)urea has a molecular weight of 206.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-phenylpropan-2-yl)urea is sourced from PubChem (CID 110490506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).