1-butyl-3-(2-ethyl-6-methylphenyl)urea

C14H22N2O — CID 4278345

IUPAC1-butyl-3-(2-ethyl-6-methylphenyl)urea
SMILESCCCCNC(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C14H22N2O/c1-4-6-10-15-14(17)16-13-11(3)8-7-9-12(13)5-2/h7-9H,4-6,10H2,1-3H3,(H2,15,16,17)
InChIKeyOXCXBRDVPXVXLU-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.48
Rot. Bonds5

About 1-butyl-3-(2-ethyl-6-methylphenyl)urea

1-butyl-3-(2-ethyl-6-methylphenyl)urea (PubChem CID 4278345) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-butyl-3-(2-ethyl-6-methylphenyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-ethyl-6-methylphenyl)urea
PubChem CID4278345
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-butyl-3-(2-ethyl-6-methylphenyl)urea
SMILESCCCCNC(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C14H22N2O/c1-4-6-10-15-14(17)16-13-11(3)8-7-9-12(13)5-2/h7-9H,4-6,10H2,1-3H3,(H2,15,16,17)
InChIKeyOXCXBRDVPXVXLU-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-(2-ethyl-6-methylanilino)propanamide
CID 109012269
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pentanamide
CID 112996980
1-(3-chloropropyl)-3-(2,6-dimethylphenyl)urea
CID 13326597
1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972102
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217291
1-(2,6-dimethylphenyl)-3-[3-(propylideneamino)propyl]urea
CID 54185087
1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572889
1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
CID 112970637

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-ethyl-6-methylphenyl)urea?
The IUPAC name of 1-butyl-3-(2-ethyl-6-methylphenyl)urea (CID 4278345) is 1-butyl-3-(2-ethyl-6-methylphenyl)urea.
What is the SMILES notation for 1-butyl-3-(2-ethyl-6-methylphenyl)urea?
The canonical SMILES for 1-butyl-3-(2-ethyl-6-methylphenyl)urea is CCCCNC(=O)Nc1c(C)cccc1CC.
What is the InChIKey of 1-butyl-3-(2-ethyl-6-methylphenyl)urea?
The InChIKey is OXCXBRDVPXVXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-6-10-15-14(17)16-13-11(3)8-7-9-12(13)5-2/h7-9H,4-6,10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-butyl-3-(2-ethyl-6-methylphenyl)urea?
1-butyl-3-(2-ethyl-6-methylphenyl)urea has a molecular weight of 234.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-ethyl-6-methylphenyl)urea is sourced from PubChem (CID 4278345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).