1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea

C15H24N2O3 — CID 111426788

IUPAC1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NCCc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O3/c1-11-4-5-13(12(2)8-11)6-7-16-15(19)17-9-14(18)10-20-3/h4-5,8,14,18H,6-7,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyORKLCXJAYQNURN-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.15
Rot. Bonds7

About 1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea

1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea (PubChem CID 111426788) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea
PubChem CID111426788
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NCCc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O3/c1-11-4-5-13(12(2)8-11)6-7-16-15(19)17-9-14(18)10-20-3/h4-5,8,14,18H,6-7,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyORKLCXJAYQNURN-UHFFFAOYSA-N
XLogP1.15
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 60590409
2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
CID 82109034
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea
CID 110911367
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 48630580
1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426624
1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 48718367
1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 111426760
N-[2-(2,4-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167356

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea (CID 111426788) is 1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea is COCC(O)CNC(=O)NCCc1ccc(C)cc1C.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The InChIKey is ORKLCXJAYQNURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-4-5-13(12(2)8-11)6-7-16-15(19)17-9-14(18)10-20-3/h4-5,8,14,18H,6-7,9-10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea?
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea has a molecular weight of 280.37 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea is sourced from PubChem (CID 111426788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).