1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea

C17H24N2O2 — CID 96534331

IUPAC1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea
SMILESCc1ccc([C@@H](NC(=O)N(CCO)C2CC2)C2CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-12-2-4-13(5-3-12)16(14-6-7-14)18-17(21)19(10-11-20)15-8-9-15/h2-5,14-16,20H,6-11H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyFQUOIYIEPAPSIE-MRXNPFEDSA-N
MW288.39 g/mol
LogP2.61
Rot. Bonds6

About 1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea (PubChem CID 96534331) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea
PubChem CID96534331
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea
SMILESCc1ccc([C@@H](NC(=O)N(CCO)C2CC2)C2CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-12-2-4-13(5-3-12)16(14-6-7-14)18-17(21)19(10-11-20)15-8-9-15/h2-5,14-16,20H,6-11H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyFQUOIYIEPAPSIE-MRXNPFEDSA-N
XLogP2.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 110892135
3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110896590
1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
CID 71925622
1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea
CID 71867501
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 110899428
3-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 94030371
1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea
CID 110896367
1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 71981475
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide
CID 71888657
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea (CID 96534331) is 1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea is Cc1ccc([C@@H](NC(=O)N(CCO)C2CC2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea?
The InChIKey is FQUOIYIEPAPSIE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-2-4-13(5-3-12)16(14-6-7-14)18-17(21)19(10-11-20)15-8-9-15/h2-5,14-16,20H,6-11H2,1H3,(H,18,21)/t16-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea has a molecular weight of 288.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 96534331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).