1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea

C14H22N4O — CID 13023375

IUPAC1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea
SMILESCC/N=C(\N)NC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C14H22N4O/c1-4-10-8-7-9-11(5-2)12(10)17-14(19)18-13(15)16-6-3/h7-9H,4-6H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyVHGRQUGTHVVVTE-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.27
Rot. Bonds4

About 1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea

1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea (PubChem CID 13023375) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea
PubChem CID13023375
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea
SMILESCC/N=C(\N)NC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C14H22N4O/c1-4-10-8-7-9-11(5-2)12(10)17-14(19)18-13(15)16-6-3/h7-9H,4-6H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyVHGRQUGTHVVVTE-UHFFFAOYSA-N
XLogP2.27
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.27
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

Lidamidine
CID 47510
1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride
CID 47509
Recainam
CID 53084
St 91
CID 20864
Xilobam
CID 39689
N-(2,6-Diethylphenyl)-N'-[imino(methylamino)methyl]urea
CID 47512
1-Cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea
CID 2814166
1-Propyl-3-(2,4-xylyl)urea
CID 295350
1-Cyclohexyl-3-(2,6-xylyl)urea
CID 794703
N-butyl-N'-(2,6-diisopropylphenyl)urea
CID 4205306
Xylonidine
CID 78576
N-(2,6-Dimethylphenyl)urea
CID 96953

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea (CID 13023375) is 1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea is CC/N=C(\N)NC(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea?
The InChIKey is VHGRQUGTHVVVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-10-8-7-9-11(5-2)12(10)17-14(19)18-13(15)16-6-3/h7-9H,4-6H2,1-3H3,(H4,15,16,17,18,19).
What are the key properties of 1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea?
1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea has a molecular weight of 262.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-(N'-ethylcarbamimidoyl)urea is sourced from PubChem (CID 13023375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).