1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea

C13H20N2O2 — CID 38155643

IUPAC1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea
SMILESCC[C@H](CO)NC(=O)NCCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-2-12(10-16)15-13(17)14-9-8-11-6-4-3-5-7-11/h3-7,12,16H,2,8-10H2,1H3,(H2,14,15,17)/t12-/m1/s1
InChIKeyBKKLUAYQKXJJSZ-GFCCVEGCSA-N
MW236.31 g/mol
LogP1.30
Rot. Bonds6

About 1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea

1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea (PubChem CID 38155643) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea
PubChem CID38155643
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea
SMILESCC[C@H](CO)NC(=O)NCCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-2-12(10-16)15-13(17)14-9-8-11-6-4-3-5-7-11/h3-7,12,16H,2,8-10H2,1H3,(H2,14,15,17)/t12-/m1/s1
InChIKeyBKKLUAYQKXJJSZ-GFCCVEGCSA-N
XLogP1.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)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 1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea (CID 38155643) is 1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea is CC[C@H](CO)NC(=O)NCCc1ccccc1.
What is the InChIKey of 1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea?
The InChIKey is BKKLUAYQKXJJSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-12(10-16)15-13(17)14-9-8-11-6-4-3-5-7-11/h3-7,12,16H,2,8-10H2,1H3,(H2,14,15,17)/t12-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea?
1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea has a molecular weight of 236.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxybutan-2-yl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 38155643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).