1-ethyl-3-(4-propan-2-ylphenyl)urea

C12H18N2O — CID 4647135

IUPAC1-ethyl-3-(4-propan-2-ylphenyl)urea
SMILESCCNC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-4-13-12(15)14-11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14,15)
InChIKeyURHWQWSSDZEEJL-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.95
Rot. Bonds3

About 1-ethyl-3-(4-propan-2-ylphenyl)urea

1-ethyl-3-(4-propan-2-ylphenyl)urea (PubChem CID 4647135) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-ethyl-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-propan-2-ylphenyl)urea
PubChem CID4647135
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-ethyl-3-(4-propan-2-ylphenyl)urea
SMILESCCNC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-4-13-12(15)14-11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14,15)
InChIKeyURHWQWSSDZEEJL-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-3-(4-propan-2-ylphenyl)urea 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-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62669376
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
1-[(4-bromophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 108899366
1-ethyl-3-[4-[4-(ethylcarbamoylamino)phenyl]sulfanylphenyl]urea
CID 27276347
1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea
CID 108910510
N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61341674
1-methoxy-3-(4-propan-2-ylphenyl)urea
CID 134178123
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 113213273

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-ethyl-3-(4-propan-2-ylphenyl)urea (CID 4647135) is 1-ethyl-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-ethyl-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-ethyl-3-(4-propan-2-ylphenyl)urea is CCNC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-ethyl-3-(4-propan-2-ylphenyl)urea?
The InChIKey is URHWQWSSDZEEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-13-12(15)14-11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-ethyl-3-(4-propan-2-ylphenyl)urea?
1-ethyl-3-(4-propan-2-ylphenyl)urea has a molecular weight of 206.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 4647135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).