1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea

C14H22N2O3 — CID 3463712

IUPAC1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea
SMILESCOC(CNC(=O)Nc1cc(C)c(C)cc1C)OC
InChIInChI=1S/C14H22N2O3/c1-9-6-11(3)12(7-10(9)2)16-14(17)15-8-13(18-4)19-5/h6-7,13H,8H2,1-5H3,(H2,15,16,17)
InChIKeyVEYGIAIZLNHATQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.35
Rot. Bonds5

About 1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea

1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea (PubChem CID 3463712) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea
PubChem CID3463712
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea
SMILESCOC(CNC(=O)Nc1cc(C)c(C)cc1C)OC
InChIInChI=1S/C14H22N2O3/c1-9-6-11(3)12(7-10(9)2)16-14(17)15-8-13(18-4)19-5/h6-7,13H,8H2,1-5H3,(H2,15,16,17)
InChIKeyVEYGIAIZLNHATQ-UHFFFAOYSA-N
XLogP2.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethoxyethyl)-3-(2-sulfanylphenyl)urea
CID 108886467
1-(4-bromo-3-methylphenyl)-3-(2,2-dimethoxyethyl)urea
CID 127586988
1-(2,2-dimethoxyethyl)-3-(3-methylphenyl)urea
CID 4524183
1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3743280
N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516409
3-(2-methoxypropylcarbamoylamino)-4-methylbenzoic acid
CID 102699684
N-(2,4,5-trimethylphenyl)carbamoyl fluoride
CID 88834231
2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid
CID 82501882
2,2-dimethoxyethylcarbamic acid
CID 18938836
2-hydroxy-N-(2,4,5-trimethylphenyl)propanamide
CID 115140395
N-(2,2-dimethoxyethyl)-N'-(2-methylphenyl)oxamide
CID 7541682
1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea
CID 3823271

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea?
The IUPAC name of 1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea (CID 3463712) is 1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea is COC(CNC(=O)Nc1cc(C)c(C)cc1C)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea?
The InChIKey is VEYGIAIZLNHATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-6-11(3)12(7-10(9)2)16-14(17)15-8-13(18-4)19-5/h6-7,13H,8H2,1-5H3,(H2,15,16,17).
What are the key properties of 1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea?
1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea has a molecular weight of 266.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea is sourced from PubChem (CID 3463712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).