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

C15H24N2O3 — CID 111120599

IUPAC1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCCOc1cccc(NC(=O)NCC(C)(O)C(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-5-20-13-8-6-7-12(9-13)17-14(18)16-10-15(4,19)11(2)3/h6-9,11,19H,5,10H2,1-4H3,(H2,16,17,18)
InChIKeyWWVZHMUEPYPRRT-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.61
Rot. Bonds6

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

1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea (PubChem CID 111120599) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
PubChem CID111120599
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCCOc1cccc(NC(=O)NCC(C)(O)C(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-5-20-13-8-6-7-12(9-13)17-14(18)16-10-15(4,19)11(2)3/h6-9,11,19H,5,10H2,1-4H3,(H2,16,17,18)
InChIKeyWWVZHMUEPYPRRT-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

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Related Compounds

1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484140
1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120649
1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120450
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557
(2R)-2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 78972422
5-[(3-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686439
1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111120548
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 75424341

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea (CID 111120599) is 1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea is CCOc1cccc(NC(=O)NCC(C)(O)C(C)C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The InChIKey is WWVZHMUEPYPRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-20-13-8-6-7-12(9-13)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-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
1-(3-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-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea is sourced from PubChem (CID 111120599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).