1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea

C13H20N2O3 — CID 94813267

IUPAC1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea
SMILESCC[C@](C)(O)CNC(=O)Nc1ccccc1OC
InChIInChI=1S/C13H20N2O3/c1-4-13(2,17)9-14-12(16)15-10-7-5-6-8-11(10)18-3/h5-8,17H,4,9H2,1-3H3,(H2,14,15,16)/t13-/m0/s1
InChIKeyPJMJVYHJYFUGPL-ZDUSSCGKSA-N
MW252.31 g/mol
LogP1.98
Rot. Bonds5

About 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea

1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea (PubChem CID 94813267) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea
PubChem CID94813267
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea
SMILESCC[C@](C)(O)CNC(=O)Nc1ccccc1OC
InChIInChI=1S/C13H20N2O3/c1-4-13(2,17)9-14-12(16)15-10-7-5-6-8-11(10)18-3/h5-8,17H,4,9H2,1-3H3,(H2,14,15,16)/t13-/m0/s1
InChIKeyPJMJVYHJYFUGPL-ZDUSSCGKSA-N
XLogP1.98
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
CID 94798731
1-[(2S)-2-hydroxy-2-methylbutyl]-3-phenylurea
CID 94797729
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea
CID 56724275
1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
CID 95984563
1-(3-hydroxy-4,4-dimethylpentyl)-3-(2-methoxyphenyl)urea
CID 90523642
1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea
CID 95352044
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
CID 90600196
1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea
CID 115640180
2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
CID 22287395
2-[(2-methoxyphenyl)carbamoylamino]-N-propylacetamide
CID 27868610
1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120450
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
CID 113213798

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea (CID 94813267) is 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea is CC[C@](C)(O)CNC(=O)Nc1ccccc1OC.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea?
The InChIKey is PJMJVYHJYFUGPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-13(2,17)9-14-12(16)15-10-7-5-6-8-11(10)18-3/h5-8,17H,4,9H2,1-3H3,(H2,14,15,16)/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea?
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea has a molecular weight of 252.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 94813267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).