1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea

C16H26N2O2 — CID 86952275

IUPAC1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)NCCCC2CCCC2)c(C)o1
InChIInChI=1S/C16H26N2O2/c1-12-10-15(13(2)20-12)11-18-16(19)17-9-5-8-14-6-3-4-7-14/h10,14H,3-9,11H2,1-2H3,(H2,17,18,19)
InChIKeyIJYVNDWCVTVOOX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.67
Rot. Bonds6

About 1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea

1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea (PubChem CID 86952275) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea
PubChem CID86952275
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)NCCCC2CCCC2)c(C)o1
InChIInChI=1S/C16H26N2O2/c1-12-10-15(13(2)20-12)11-18-16(19)17-9-5-8-14-6-3-4-7-14/h10,14H,3-9,11H2,1-2H3,(H2,17,18,19)
InChIKeyIJYVNDWCVTVOOX-UHFFFAOYSA-N
XLogP3.67
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 78866046
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[3-(N-methylanilino)propyl]urea
CID 86952276
2-cyclopentyl-N-[(2,5-dimethylfuran-3-yl)methyl]pyrrolidine-1-carboxamide
CID 86952444
1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106005250
N-[(2,5-dimethylfuran-3-yl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538738
5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide
CID 55774303
N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide
CID 90536222
1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 86992722
3-cyclohexylpropylcarbamic acid
CID 54479876
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 86952438
3-(3-cyclopentylpropylcarbamoylamino)-2-methylpropanoic acid
CID 114136378
1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide
CID 86950361

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea?
The IUPAC name of 1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea (CID 86952275) is 1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea?
The canonical SMILES for 1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea is Cc1cc(CNC(=O)NCCCC2CCCC2)c(C)o1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea?
The InChIKey is IJYVNDWCVTVOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-10-15(13(2)20-12)11-18-16(19)17-9-5-8-14-6-3-4-7-14/h10,14H,3-9,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea?
1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea has a molecular weight of 278.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-3-[(2,5-dimethylfuran-3-yl)methyl]urea is sourced from PubChem (CID 86952275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).