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

C19H22N2O2 — CID 110890631

IUPAC3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccccc1Cc1ccccc1)N(CCO)C1CC1
InChIInChI=1S/C19H22N2O2/c22-13-12-21(17-10-11-17)19(23)20-18-9-5-4-8-16(18)14-15-6-2-1-3-7-15/h1-9,17,22H,10-14H2,(H,20,23)
InChIKeyLBPZNSALMICPMS-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.27
Rot. Bonds6

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

3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 110890631) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID110890631
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccccc1Cc1ccccc1)N(CCO)C1CC1
InChIInChI=1S/C19H22N2O2/c22-13-12-21(17-10-11-17)19(23)20-18-9-5-4-8-16(18)14-15-6-2-1-3-7-15/h1-9,17,22H,10-14H2,(H,20,23)
InChIKeyLBPZNSALMICPMS-UHFFFAOYSA-N
XLogP3.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 110890631) is 3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea is O=C(Nc1ccccc1Cc1ccccc1)N(CCO)C1CC1.
What is the InChIKey of 3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is LBPZNSALMICPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-13-12-21(17-10-11-17)19(23)20-18-9-5-4-8-16(18)14-15-6-2-1-3-7-15/h1-9,17,22H,10-14H2,(H,20,23).
What are the key properties of 3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 310.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110890631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).