1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea

C13H15N3O2 — CID 55168466

IUPAC1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESN#Cc1cccc(NC(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C13H15N3O2/c14-7-9-2-1-3-11(6-9)16-13(18)15-8-12(17)10-4-5-10/h1-3,6,10,12,17H,4-5,8H2,(H2,15,16,18)
InChIKeyPLSMSIJCOIUELO-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.45
Rot. Bonds4

About 1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea

1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea (PubChem CID 55168466) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
PubChem CID55168466
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESN#Cc1cccc(NC(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C13H15N3O2/c14-7-9-2-1-3-11(6-9)16-13(18)15-8-12(17)10-4-5-10/h1-3,6,10,12,17H,4-5,8H2,(H2,15,16,18)
InChIKeyPLSMSIJCOIUELO-UHFFFAOYSA-N
XLogP1.45
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyclopropyl-2-hydroxyethyl)amino]benzonitrile
CID 102822318
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1-(3-cyanophenyl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
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1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea
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CID 11101346
1-(2-chloroethyl)-3-(3-cyanophenyl)urea
CID 11736224
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080
1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea
CID 106737757
1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 51106201
1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea
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2-(3-cyanoanilino)-N-(dicyclopropylmethyl)acetamide
CID 29458027

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The IUPAC name of 1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea (CID 55168466) is 1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea is N#Cc1cccc(NC(=O)NCC(O)C2CC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The InChIKey is PLSMSIJCOIUELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-7-9-2-1-3-11(6-9)16-13(18)15-8-12(17)10-4-5-10/h1-3,6,10,12,17H,4-5,8H2,(H2,15,16,18).
What are the key properties of 1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea has a molecular weight of 245.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea is sourced from PubChem (CID 55168466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).