1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea

C16H26N2O3 — CID 111120649

IUPAC1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCCOc1ccc(NC(=O)NCC(C)(O)C(C)C)cc1C
InChIInChI=1S/C16H26N2O3/c1-6-21-14-8-7-13(9-12(14)4)18-15(19)17-10-16(5,20)11(2)3/h7-9,11,20H,6,10H2,1-5H3,(H2,17,18,19)
InChIKeyRIYNPLRJPWLUOE-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.92
Rot. Bonds6

About 1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea

1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea (PubChem CID 111120649) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
PubChem CID111120649
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCCOc1ccc(NC(=O)NCC(C)(O)C(C)C)cc1C
InChIInChI=1S/C16H26N2O3/c1-6-21-14-8-7-13(9-12(14)4)18-15(19)17-10-16(5,20)11(2)3/h7-9,11,20H,6,10H2,1-5H3,(H2,17,18,19)
InChIKeyRIYNPLRJPWLUOE-UHFFFAOYSA-N
XLogP2.92
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120599
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120450
2-hydroxy-2-methyl-3-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122085546
1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea
CID 110774460
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
(E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide
CID 86950140
2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 47416651
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196
1-(3-cyano-4-fluorophenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120712

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea (CID 111120649) is 1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea is CCOc1ccc(NC(=O)NCC(C)(O)C(C)C)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The InChIKey is RIYNPLRJPWLUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-21-14-8-7-13(9-12(14)4)18-15(19)17-10-16(5,20)11(2)3/h7-9,11,20H,6,10H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea has a molecular weight of 294.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea is sourced from PubChem (CID 111120649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).