1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea

C12H18N4O — CID 3049597

IUPAC1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
SMILESCCc1cccc(C)c1NC(=O)N/C(N)=N/C
InChIInChI=1S/C12H18N4O/c1-4-9-7-5-6-8(2)10(9)15-12(17)16-11(13)14-3/h5-7H,4H2,1-3H3,(H4,13,14,15,16,17)
InChIKeyILPSOXAJFXAENL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.62
Rot. Bonds2

About 1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea

1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea (PubChem CID 3049597) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
PubChem CID3049597
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
SMILESCCc1cccc(C)c1NC(=O)N/C(N)=N/C
InChIInChI=1S/C12H18N4O/c1-4-9-7-5-6-8(2)10(9)15-12(17)16-11(13)14-3/h5-7H,4H2,1-3H3,(H4,13,14,15,16,17)
InChIKeyILPSOXAJFXAENL-UHFFFAOYSA-N
XLogP1.62
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethyl-6-methylphenyl)-2-methylguanidine
CID 62378878
1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride
CID 53351559
1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea
CID 135823938
1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910219
1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
CID 3049570
2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 171343437
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
1-(N'-butylcarbamimidoyl)-3-(2,6-dimethylphenyl)urea
CID 13023382
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea
CID 13023376
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea (CID 3049597) is 1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea is CCc1cccc(C)c1NC(=O)N/C(N)=N/C.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea?
The InChIKey is ILPSOXAJFXAENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-9-7-5-6-8(2)10(9)15-12(17)16-11(13)14-3/h5-7H,4H2,1-3H3,(H4,13,14,15,16,17).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea?
1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea has a molecular weight of 234.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea is sourced from PubChem (CID 3049597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).