3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea

C15H24N2O3 — CID 110903869

IUPAC3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
SMILESCCc1cccc(C)c1NC(=O)N(C)CC(O)COC
InChIInChI=1S/C15H24N2O3/c1-5-12-8-6-7-11(2)14(12)16-15(19)17(3)9-13(18)10-20-4/h6-8,13,18H,5,9-10H2,1-4H3,(H,16,19)
InChIKeyWITWVTPOZALARZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.03
Rot. Bonds6

About 3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea

3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea (PubChem CID 110903869) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea.

Molecular Properties

Compound Name3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
PubChem CID110903869
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
SMILESCCc1cccc(C)c1NC(=O)N(C)CC(O)COC
InChIInChI=1S/C15H24N2O3/c1-5-12-8-6-7-11(2)14(12)16-15(19)17(3)9-13(18)10-20-4/h6-8,13,18H,5,9-10H2,1-4H3,(H,16,19)
InChIKeyWITWVTPOZALARZ-UHFFFAOYSA-N
XLogP2.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462496
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
1-(2-cyanoethyl)-3-(2-ethyl-6-methylphenyl)-1-methylurea
CID 3860890
2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide
CID 70010696
3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54941815
3-(2-tert-butylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903895
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86837352
2-(dimethylamino)ethyl N-(2-ethyl-6-methylphenyl)carbamate
CID 44722433
2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 62539688
3-(2,5-dichlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54979402
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide
CID 131947258

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The IUPAC name of 3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea (CID 110903869) is 3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea.
What is the SMILES notation for 3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The canonical SMILES for 3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea is CCc1cccc(C)c1NC(=O)N(C)CC(O)COC.
What is the InChIKey of 3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The InChIKey is WITWVTPOZALARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-12-8-6-7-11(2)14(12)16-15(19)17(3)9-13(18)10-20-4/h6-8,13,18H,5,9-10H2,1-4H3,(H,16,19).
What are the key properties of 3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea has a molecular weight of 280.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea is sourced from PubChem (CID 110903869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).