1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea

C15H24N2O3 — CID 111120450

IUPAC1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCCOc1ccccc1NC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C15H24N2O3/c1-5-20-13-9-7-6-8-12(13)17-14(18)16-10-15(4,19)11(2)3/h6-9,11,19H,5,10H2,1-4H3,(H2,16,17,18)
InChIKeyXYQBHBISEKLTEC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.61
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea

1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea (PubChem CID 111120450) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
PubChem CID111120450
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCCOc1ccccc1NC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C15H24N2O3/c1-5-20-13-9-7-6-8-12(13)17-14(18)16-10-15(4,19)11(2)3/h6-9,11,19H,5,10H2,1-4H3,(H2,16,17,18)
InChIKeyXYQBHBISEKLTEC-UHFFFAOYSA-N
XLogP2.61
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)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-bromophenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120348
1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
CID 95984563
1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120599
1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120649
4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81072787
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
CID 113213798
1-(2-hydroxy-2,3-dimethylbutyl)-3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea
CID 111508975
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120487
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea
CID 94813267

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea (CID 111120450) is 1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea is CCOc1ccccc1NC(=O)NCC(C)(O)C(C)C.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The InChIKey is XYQBHBISEKLTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-20-13-9-7-6-8-12(13)17-14(18)16-10-15(4,19)11(2)3/h6-9,11,19H,5,10H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea is sourced from PubChem (CID 111120450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).