1,1-dibenzyl-3-propan-2-ylurea

C18H22N2O — CID 23988482

IUPAC1,1-dibenzyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-15(2)19-18(21)20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,19,21)
InChIKeyWLEDSXAGIUUWQR-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.81
Rot. Bonds5

About 1,1-dibenzyl-3-propan-2-ylurea

1,1-dibenzyl-3-propan-2-ylurea (PubChem CID 23988482) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1,1-dibenzyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1,1-dibenzyl-3-propan-2-ylurea
PubChem CID23988482
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1,1-dibenzyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-15(2)19-18(21)20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,19,21)
InChIKeyWLEDSXAGIUUWQR-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea
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5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-propan-2-ylurea?
The IUPAC name of 1,1-dibenzyl-3-propan-2-ylurea (CID 23988482) is 1,1-dibenzyl-3-propan-2-ylurea.
What is the SMILES notation for 1,1-dibenzyl-3-propan-2-ylurea?
The canonical SMILES for 1,1-dibenzyl-3-propan-2-ylurea is CC(C)NC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-propan-2-ylurea?
The InChIKey is WLEDSXAGIUUWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15(2)19-18(21)20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,19,21).
What are the key properties of 1,1-dibenzyl-3-propan-2-ylurea?
1,1-dibenzyl-3-propan-2-ylurea has a molecular weight of 282.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-propan-2-ylurea is sourced from PubChem (CID 23988482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).