3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea

C16H26N2O3 — CID 122566399

IUPAC3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)NCCCOC2CCCC2)o1
InChIInChI=1S/C16H26N2O3/c1-13-8-9-15(21-13)12-18(2)16(19)17-10-5-11-20-14-6-3-4-7-14/h8-9,14H,3-7,10-12H2,1-2H3,(H,17,19)
InChIKeyZDBSGOFZPUMHTA-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.08
Rot. Bonds7

About 3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea

3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 122566399) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID122566399
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)NCCCOC2CCCC2)o1
InChIInChI=1S/C16H26N2O3/c1-13-8-9-15(21-13)12-18(2)16(19)17-10-5-11-20-14-6-3-4-7-14/h8-9,14H,3-7,10-12H2,1-2H3,(H,17,19)
InChIKeyZDBSGOFZPUMHTA-UHFFFAOYSA-N
XLogP3.08
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 52650743
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
5-methyl-N-(3-piperidin-4-yloxypropyl)furan-2-carboxamide
CID 55252129
N-(cyclohexylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560208
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61199226
N-(3-cyclohexyloxypropyl)-2-(4-methylphenoxy)acetamide
CID 134030025
N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55085461
3-(3-cyclopentyloxypropyl)-1-[(4-fluorophenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111306551
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63643024
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-pentylurea
CID 86998900
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea (CID 122566399) is 3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea is Cc1ccc(CN(C)C(=O)NCCCOC2CCCC2)o1.
What is the InChIKey of 3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is ZDBSGOFZPUMHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13-8-9-15(21-13)12-18(2)16(19)17-10-5-11-20-14-6-3-4-7-14/h8-9,14H,3-7,10-12H2,1-2H3,(H,17,19).
What are the key properties of 3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea?
3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 294.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 122566399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).