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

C14H22N2O — CID 114264076

IUPAC1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea
SMILESCCN(C)C(=O)NC(C)(C)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-5-16(4)13(17)15-14(2,3)11-12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,15,17)
InChIKeyZYRKTSQFANOUNL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.67
Rot. Bonds4

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

1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea (PubChem CID 114264076) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea
PubChem CID114264076
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea
SMILESCCN(C)C(=O)NC(C)(C)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-5-16(4)13(17)15-14(2,3)11-12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,15,17)
InChIKeyZYRKTSQFANOUNL-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265938
2-methoxy-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84570069
1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 110628349
(2S)-2-[ethyl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 91206478
2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100733886
2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide
CID 110168185
1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide
CID 68779216
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide
CID 133162015
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea (CID 114264076) is 1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea is CCN(C)C(=O)NC(C)(C)Cc1ccccc1.
What is the InChIKey of 1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea?
The InChIKey is ZYRKTSQFANOUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-16(4)13(17)15-14(2,3)11-12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,15,17).
What are the key properties of 1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea?
1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea has a molecular weight of 234.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea is sourced from PubChem (CID 114264076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).