1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea

C18H19N3O — CID 108990757

IUPAC1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H19N3O/c1-14(2)21(13-15-8-4-3-5-9-15)18(22)20-17-11-7-6-10-16(17)12-19/h3-11,14H,13H2,1-2H3,(H,20,22)
InChIKeyVEVXGLWJVNFOAL-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.00
Rot. Bonds4

About 1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea

1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea (PubChem CID 108990757) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea
PubChem CID108990757
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H19N3O/c1-14(2)21(13-15-8-4-3-5-9-15)18(22)20-17-11-7-6-10-16(17)12-19/h3-11,14H,13H2,1-2H3,(H,20,22)
InChIKeyVEVXGLWJVNFOAL-UHFFFAOYSA-N
XLogP4.00
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-benzyl-3-ethyl-1-propan-2-ylurea
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea (CID 108990757) is 1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea is CC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of 1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea?
The InChIKey is VEVXGLWJVNFOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14(2)21(13-15-8-4-3-5-9-15)18(22)20-17-11-7-6-10-16(17)12-19/h3-11,14H,13H2,1-2H3,(H,20,22).
What are the key properties of 1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea?
1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea has a molecular weight of 293.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea is sourced from PubChem (CID 108990757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).