1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea

C15H24N2O3 — CID 111453119

IUPAC1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCCOc1cc(C)ccc1NC(=O)NC(C)C(C)CO
InChIInChI=1S/C15H24N2O3/c1-5-20-14-8-10(2)6-7-13(14)17-15(19)16-12(4)11(3)9-18/h6-8,11-12,18H,5,9H2,1-4H3,(H2,16,17,19)
InChIKeyUJJXLJYETQIURT-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.53
Rot. Bonds6

About 1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea

1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea (PubChem CID 111453119) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
PubChem CID111453119
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCCOc1cc(C)ccc1NC(=O)NC(C)C(C)CO
InChIInChI=1S/C15H24N2O3/c1-5-20-14-8-10(2)6-7-13(14)17-15(19)16-12(4)11(3)9-18/h6-8,11-12,18H,5,9H2,1-4H3,(H2,16,17,19)
InChIKeyUJJXLJYETQIURT-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide
CID 61173731
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946
1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
CID 111336863
(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
CID 79013044
N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862887
1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea
CID 47261966
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
CID 111453406
2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
CID 76888007
1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452596
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076836

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The IUPAC name of 1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea (CID 111453119) is 1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The canonical SMILES for 1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea is CCOc1cc(C)ccc1NC(=O)NC(C)C(C)CO.
What is the InChIKey of 1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The InChIKey is UJJXLJYETQIURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-20-14-8-10(2)6-7-13(14)17-15(19)16-12(4)11(3)9-18/h6-8,11-12,18H,5,9H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea is sourced from PubChem (CID 111453119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).