1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea

C17H26N2O2S — CID 111438906

IUPAC1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
SMILESCSCC(C)(O)CNC(=O)NC(Cc1ccccc1)C1CC1
InChIInChI=1S/C17H26N2O2S/c1-17(21,12-22-2)11-18-16(20)19-15(14-8-9-14)10-13-6-4-3-5-7-13/h3-7,14-15,21H,8-12H2,1-2H3,(H2,18,19,20)
InChIKeyOBPFFIVHBNNORJ-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.42
Rot. Bonds8

About 1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea

1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea (PubChem CID 111438906) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
PubChem CID111438906
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
SMILESCSCC(C)(O)CNC(=O)NC(Cc1ccccc1)C1CC1
InChIInChI=1S/C17H26N2O2S/c1-17(21,12-22-2)11-18-16(20)19-15(14-8-9-14)10-13-6-4-3-5-7-13/h3-7,14-15,21H,8-12H2,1-2H3,(H2,18,19,20)
InChIKeyOBPFFIVHBNNORJ-UHFFFAOYSA-N
XLogP2.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea
CID 111435397
1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438060
4-[[(1-cyclopropyl-2-phenylethyl)carbamoylamino]methyl]benzoic acid
CID 122002941
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
CID 95632300
1-(1-cyclopropyl-2-phenylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618937
N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide
CID 86902888
(2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119331086
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
CID 90523165
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
1-(1-cyclohexyl-2-phenylethyl)-3-(2-fluoroethyl)urea;molecular hydrogen
CID 143584718
1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 111438387
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
CID 106247688

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
The IUPAC name of 1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea (CID 111438906) is 1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea.
What is the SMILES notation for 1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
The canonical SMILES for 1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea is CSCC(C)(O)CNC(=O)NC(Cc1ccccc1)C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
The InChIKey is OBPFFIVHBNNORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-17(21,12-22-2)11-18-16(20)19-15(14-8-9-14)10-13-6-4-3-5-7-13/h3-7,14-15,21H,8-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea?
1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea has a molecular weight of 322.47 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea is sourced from PubChem (CID 111438906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).