1-(2-ethylbutyl)-3-phenylurea

C13H20N2O — CID 54410955

IUPAC1-(2-ethylbutyl)-3-phenylurea
SMILESCCC(CC)CNC(=O)Nc1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-11(4-2)10-14-13(16)15-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,14,15,16)
InChIKeyVUCMJRNSMFKPAR-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.24
Rot. Bonds5

About 1-(2-ethylbutyl)-3-phenylurea

1-(2-ethylbutyl)-3-phenylurea (PubChem CID 54410955) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-ethylbutyl)-3-phenylurea
PubChem CID54410955
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(2-ethylbutyl)-3-phenylurea
SMILESCCC(CC)CNC(=O)Nc1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-11(4-2)10-14-13(16)15-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,14,15,16)
InChIKeyVUCMJRNSMFKPAR-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2-ethylbutyl)-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloropropyl)-3-phenylurea
CID 70181020
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate
CID 60612388
3-methoxy-4-(phenylcarbamoylamino)butanoic acid
CID 103153417
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824
1-methyl-3-phenylurea;propane
CID 142949663
1-dodecyl-3-phenylurea
CID 3697946
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid
CID 65219158
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783
1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea
CID 104593873

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-3-phenylurea?
The IUPAC name of 1-(2-ethylbutyl)-3-phenylurea (CID 54410955) is 1-(2-ethylbutyl)-3-phenylurea.
What is the SMILES notation for 1-(2-ethylbutyl)-3-phenylurea?
The canonical SMILES for 1-(2-ethylbutyl)-3-phenylurea is CCC(CC)CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-ethylbutyl)-3-phenylurea?
The InChIKey is VUCMJRNSMFKPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-11(4-2)10-14-13(16)15-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2-ethylbutyl)-3-phenylurea?
1-(2-ethylbutyl)-3-phenylurea has a molecular weight of 220.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-3-phenylurea is sourced from PubChem (CID 54410955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).