1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea

C15H24N2O3 — CID 111926113

IUPAC1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea
SMILESCCN(CC(C)(C)O)C(=O)Nc1ccc(C)cc1OC
InChIInChI=1S/C15H24N2O3/c1-6-17(10-15(3,4)19)14(18)16-12-8-7-11(2)9-13(12)20-5/h7-9,19H,6,10H2,1-5H3,(H,16,18)
InChIKeyKMBBORVPJRSQGS-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.63
Rot. Bonds5

About 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea

1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea (PubChem CID 111926113) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea
PubChem CID111926113
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea
SMILESCCN(CC(C)(C)O)C(=O)Nc1ccc(C)cc1OC
InChIInChI=1S/C15H24N2O3/c1-6-17(10-15(3,4)19)14(18)16-12-8-7-11(2)9-13(12)20-5/h7-9,19H,6,10H2,1-5H3,(H,16,18)
InChIKeyKMBBORVPJRSQGS-UHFFFAOYSA-N
XLogP2.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790631
3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754678
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 111926080
3-[4-(aminomethyl)-2-methoxyphenyl]-1,1-diethylurea
CID 104848503
2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide
CID 79805209
3-(4-cyano-2-methoxyphenyl)-1,1-diethylurea
CID 104844636
N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604669
N-[4-(diethylcarbamoylamino)-2-methoxyphenyl]acetamide
CID 47222814
1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea
CID 14208459
1-(2-ethyl-2-hydroxybutyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111103660
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
CID 79378172
2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide
CID 3499953

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea?
The IUPAC name of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea (CID 111926113) is 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea is CCN(CC(C)(C)O)C(=O)Nc1ccc(C)cc1OC.
What is the InChIKey of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea?
The InChIKey is KMBBORVPJRSQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-6-17(10-15(3,4)19)14(18)16-12-8-7-11(2)9-13(12)20-5/h7-9,19H,6,10H2,1-5H3,(H,16,18).
What are the key properties of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea?
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea is sourced from PubChem (CID 111926113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).