1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea

C13H18N2O — CID 108910219

IUPAC1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C13H18N2O/c1-5-11-8-6-7-10(4)12(11)15-13(16)14-9(2)3/h6-8H,2,5H2,1,3-4H3,(H2,14,15,16)
InChIKeyDNYMJCLKKXDZDF-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.21
Rot. Bonds3

About 1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea

1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea (PubChem CID 108910219) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea
PubChem CID108910219
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C13H18N2O/c1-5-11-8-6-7-10(4)12(11)15-13(16)14-9(2)3/h6-8H,2,5H2,1,3-4H3,(H2,14,15,16)
InChIKeyDNYMJCLKKXDZDF-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
CID 3049597
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910145
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108991584
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea
CID 135823938
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea (CID 108910219) is 1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea is C=C(C)NC(=O)Nc1c(C)cccc1CC.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea?
The InChIKey is DNYMJCLKKXDZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-5-11-8-6-7-10(4)12(11)15-13(16)14-9(2)3/h6-8H,2,5H2,1,3-4H3,(H2,14,15,16).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea?
1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea has a molecular weight of 218.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).