1-propan-2-yl-3-(3-propan-2-ylphenyl)urea

C13H20N2O — CID 47173712

IUPAC1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
SMILESCC(C)NC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C13H20N2O/c1-9(2)11-6-5-7-12(8-11)15-13(16)14-10(3)4/h5-10H,1-4H3,(H2,14,15,16)
InChIKeyFZKQXMZRQUZHLK-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.34
Rot. Bonds3

About 1-propan-2-yl-3-(3-propan-2-ylphenyl)urea

1-propan-2-yl-3-(3-propan-2-ylphenyl)urea (PubChem CID 47173712) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-propan-2-yl-3-(3-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
PubChem CID47173712
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
SMILESCC(C)NC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C13H20N2O/c1-9(2)11-6-5-7-12(8-11)15-13(16)14-10(3)4/h5-10H,1-4H3,(H2,14,15,16)
InChIKeyFZKQXMZRQUZHLK-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61196314
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190
(2S,3R)-3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 104965833
3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 61196687
(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 61194996
1-(3-hexan-3-ylphenyl)-3-propan-2-ylurea;molecular hydrogen
CID 142494224
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672
1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61196688
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea
CID 111452874
1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea
CID 134528663
4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 62480410
2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide
CID 51078431

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(3-propan-2-ylphenyl)urea?
The IUPAC name of 1-propan-2-yl-3-(3-propan-2-ylphenyl)urea (CID 47173712) is 1-propan-2-yl-3-(3-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(3-propan-2-ylphenyl)urea?
The canonical SMILES for 1-propan-2-yl-3-(3-propan-2-ylphenyl)urea is CC(C)NC(=O)Nc1cccc(C(C)C)c1.
What is the InChIKey of 1-propan-2-yl-3-(3-propan-2-ylphenyl)urea?
The InChIKey is FZKQXMZRQUZHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)11-6-5-7-12(8-11)15-13(16)14-10(3)4/h5-10H,1-4H3,(H2,14,15,16).
What are the key properties of 1-propan-2-yl-3-(3-propan-2-ylphenyl)urea?
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea has a molecular weight of 220.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(3-propan-2-ylphenyl)urea is sourced from PubChem (CID 47173712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).