1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea

C17H20N2O — CID 142206626

IUPAC1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea
SMILESCCc1ccc(NC(=O)NC2=CC=C(C)CC=C2)cc1
InChIInChI=1S/C17H20N2O/c1-3-14-8-11-16(12-9-14)19-17(20)18-15-6-4-5-13(2)7-10-15/h4,6-12H,3,5H2,1-2H3,(H2,18,19,20)
InChIKeyUWEKYERWNVSKKR-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.16
Rot. Bonds3

About 1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea

1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea (PubChem CID 142206626) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea
PubChem CID142206626
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea
SMILESCCc1ccc(NC(=O)NC2=CC=C(C)CC=C2)cc1
InChIInChI=1S/C17H20N2O/c1-3-14-8-11-16(12-9-14)19-17(20)18-15-6-4-5-13(2)7-10-15/h4,6-12H,3,5H2,1-2H3,(H2,18,19,20)
InChIKeyUWEKYERWNVSKKR-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Fluometuron
CID 16562
Isoproturon
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4-Methylacetanilide
CID 7684
N,N'-Diacetylbenzidine
CID 11942
(3-Trifluoromethylphenyl)urea
CID 25712
Desmethylfluometuron
CID 98771
Daimuron
CID 39238
3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)
CID 87146
N-(4-Methylphenyl)urea
CID 12148
Atglistatin
CID 71699712
4-Acetamidophenylacetonitrile
CID 289748
Monodesmethylisoproturon
CID 182167

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea (CID 142206626) is 1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea is CCc1ccc(NC(=O)NC2=CC=C(C)CC=C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea?
The InChIKey is UWEKYERWNVSKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-14-8-11-16(12-9-14)19-17(20)18-15-6-4-5-13(2)7-10-15/h4,6-12H,3,5H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea?
1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea has a molecular weight of 268.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(4-methylcyclohepta-1,3,6-trien-1-yl)urea is sourced from PubChem (CID 142206626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).