1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea

C14H20N2O — CID 110356549

IUPAC1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea
SMILESCC(CNC(=O)NC1CC1)Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(9-12-5-3-2-4-6-12)10-15-14(17)16-13-7-8-13/h2-6,11,13H,7-10H2,1H3,(H2,15,16,17)
InChIKeyYSQCTVPDXSLARB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.33
Rot. Bonds5

About 1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea

1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea (PubChem CID 110356549) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea
PubChem CID110356549
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea
SMILESCC(CNC(=O)NC1CC1)Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(9-12-5-3-2-4-6-12)10-15-14(17)16-13-7-8-13/h2-6,11,13H,7-10H2,1H3,(H2,15,16,17)
InChIKeyYSQCTVPDXSLARB-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea
CID 110608624
1-cyclopropyl-3-(2,3-diphenylpropyl)urea
CID 110307425
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137
4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023942
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea
CID 110611113
3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide
CID 24640003
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111976784
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110608605
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea?
The IUPAC name of 1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea (CID 110356549) is 1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea is CC(CNC(=O)NC1CC1)Cc1ccccc1.
What is the InChIKey of 1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea?
The InChIKey is YSQCTVPDXSLARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(9-12-5-3-2-4-6-12)10-15-14(17)16-13-7-8-13/h2-6,11,13H,7-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea?
1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea has a molecular weight of 232.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea is sourced from PubChem (CID 110356549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).