1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea

C17H28N2O3 — CID 75864935

IUPAC1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea
SMILESCCCCC(CC)CNC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C17H28N2O3/c1-5-7-8-13(6-2)12-18-17(20)19-15-11-14(21-3)9-10-16(15)22-4/h9-11,13H,5-8,12H2,1-4H3,(H2,18,19,20)
InChIKeyJYGKYQBUDBAVSN-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.04
Rot. Bonds9

About 1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea

1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea (PubChem CID 75864935) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea
PubChem CID75864935
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea
SMILESCCCCC(CC)CNC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C17H28N2O3/c1-5-7-8-13(6-2)12-18-17(20)19-15-11-14(21-3)9-10-16(15)22-4/h9-11,13H,5-8,12H2,1-4H3,(H2,18,19,20)
InChIKeyJYGKYQBUDBAVSN-UHFFFAOYSA-N
XLogP4.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(2,5-dimethoxyanilino)-2-[[(2S)-2-ethylhexyl]amino]-4-oxobutanoic acid
CID 7592007
1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea
CID 47016124
[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl] cyanate
CID 154593824
N-[5-[[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]methyl]-2-methoxyphenyl]acetamide
CID 111128133
1-[(2R)-2-ethylhexyl]-3-[3-[[(2R)-2-ethylhexyl]carbamoylamino]-4-methylphenyl]urea
CID 101499424
2-amino-N-(2,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119263329
2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
1-(2,5-dimethoxyphenyl)-3-ethylheptan-1-one
CID 114963735
N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
CID 19681648
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea
CID 129089188
3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide
CID 134016715

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea (CID 75864935) is 1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea is CCCCC(CC)CNC(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea?
The InChIKey is JYGKYQBUDBAVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-7-8-13(6-2)12-18-17(20)19-15-11-14(21-3)9-10-16(15)22-4/h9-11,13H,5-8,12H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea?
1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea has a molecular weight of 308.42 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea is sourced from PubChem (CID 75864935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).