1-cyclooctyl-3-(3-methoxyphenyl)urea

C16H24N2O2 — CID 17267106

IUPAC1-cyclooctyl-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-20-15-11-7-10-14(12-15)18-16(19)17-13-8-5-3-2-4-6-9-13/h7,10-13H,2-6,8-9H2,1H3,(H2,17,18,19)
InChIKeyLSDGKZSLZIIDBQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.93
Rot. Bonds3

About 1-cyclooctyl-3-(3-methoxyphenyl)urea

1-cyclooctyl-3-(3-methoxyphenyl)urea (PubChem CID 17267106) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclooctyl-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclooctyl-3-(3-methoxyphenyl)urea
PubChem CID17267106
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclooctyl-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-20-15-11-7-10-14(12-15)18-16(19)17-13-8-5-3-2-4-6-9-13/h7,10-13H,2-6,8-9H2,1H3,(H2,17,18,19)
InChIKeyLSDGKZSLZIIDBQ-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Karbutilate
CID 312440
Ucm 793
CID 24750192
1-Cyclohexyl-3-(4-methoxy-phenyl)-urea
CID 3397178
3-Ureidoanisole
CID 101483
Methyl N-(m-((butylcarbamoyl)oxy)phenyl)carbamate
CID 26183
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}acetamide
CID 16656789
N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750077
N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
3-(4-Methoxyphenyl)-1,1-dimethylurea
CID 23550
1-(P-Anisyl)-3-methylurea
CID 295283
1-Cyclohexyl-3-(2-methoxyphenyl)urea
CID 307293
N-ethyl-3-methoxyaniline
CID 586008

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-cyclooctyl-3-(3-methoxyphenyl)urea (CID 17267106) is 1-cyclooctyl-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-cyclooctyl-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-cyclooctyl-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NC2CCCCCCC2)c1.
What is the InChIKey of 1-cyclooctyl-3-(3-methoxyphenyl)urea?
The InChIKey is LSDGKZSLZIIDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15-11-7-10-14(12-15)18-16(19)17-13-8-5-3-2-4-6-9-13/h7,10-13H,2-6,8-9H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclooctyl-3-(3-methoxyphenyl)urea?
1-cyclooctyl-3-(3-methoxyphenyl)urea has a molecular weight of 276.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 17267106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).