[(2R)-2-benzyl-3-methylbutyl]urea

C13H20N2O — CID 99826749

IUPAC[(2R)-2-benzyl-3-methylbutyl]urea
SMILESCC(C)[C@H](CNC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(2)12(9-15-13(14)16)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H3,14,15,16)/t12-/m0/s1
InChIKeyMVOFZDGZVYIDSW-LBPRGKRZSA-N
MW220.32 g/mol
LogP2.17
Rot. Bonds5

About [(2R)-2-benzyl-3-methylbutyl]urea

[(2R)-2-benzyl-3-methylbutyl]urea (PubChem CID 99826749) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [(2R)-2-benzyl-3-methylbutyl]urea.

Molecular Properties

Compound Name[(2R)-2-benzyl-3-methylbutyl]urea
PubChem CID99826749
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[(2R)-2-benzyl-3-methylbutyl]urea
SMILESCC(C)[C@H](CNC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(2)12(9-15-13(14)16)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H3,14,15,16)/t12-/m0/s1
InChIKeyMVOFZDGZVYIDSW-LBPRGKRZSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(2R)-2-benzyl-3-methylbutyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzyl-3-methylbutyl]urea?
The IUPAC name of [(2R)-2-benzyl-3-methylbutyl]urea (CID 99826749) is [(2R)-2-benzyl-3-methylbutyl]urea.
What is the SMILES notation for [(2R)-2-benzyl-3-methylbutyl]urea?
The canonical SMILES for [(2R)-2-benzyl-3-methylbutyl]urea is CC(C)[C@H](CNC(N)=O)Cc1ccccc1.
What is the InChIKey of [(2R)-2-benzyl-3-methylbutyl]urea?
The InChIKey is MVOFZDGZVYIDSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)12(9-15-13(14)16)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H3,14,15,16)/t12-/m0/s1.
What are the key properties of [(2R)-2-benzyl-3-methylbutyl]urea?
[(2R)-2-benzyl-3-methylbutyl]urea has a molecular weight of 220.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzyl-3-methylbutyl]urea is sourced from PubChem (CID 99826749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).