1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea

C20H24N2O2 — CID 111976246

IUPAC1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
SMILESCC(CO)(NC(=O)Nc1ccccc1Cc1ccccc1)C1CC1
InChIInChI=1S/C20H24N2O2/c1-20(14-23,17-11-12-17)22-19(24)21-18-10-6-5-9-16(18)13-15-7-3-2-4-8-15/h2-10,17,23H,11-14H2,1H3,(H2,21,22,24)
InChIKeyRFVFXVWFCIYANB-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.56
Rot. Bonds6

About 1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea

1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea (PubChem CID 111976246) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
PubChem CID111976246
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
SMILESCC(CO)(NC(=O)Nc1ccccc1Cc1ccccc1)C1CC1
InChIInChI=1S/C20H24N2O2/c1-20(14-23,17-11-12-17)22-19(24)21-18-10-6-5-9-16(18)13-15-7-3-2-4-8-15/h2-10,17,23H,11-14H2,1H3,(H2,21,22,24)
InChIKeyRFVFXVWFCIYANB-UHFFFAOYSA-N
XLogP3.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea (CID 111976246) is 1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea is CC(CO)(NC(=O)Nc1ccccc1Cc1ccccc1)C1CC1.
What is the InChIKey of 1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The InChIKey is RFVFXVWFCIYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(14-23,17-11-12-17)22-19(24)21-18-10-6-5-9-16(18)13-15-7-3-2-4-8-15/h2-10,17,23H,11-14H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea has a molecular weight of 324.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 111976246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).